10149 lines
451 KiB
Plaintext
10149 lines
451 KiB
Plaintext
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+ INPUT=pyridine
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+ source /users/p18005/veril/tmpdir/qp2/quantum_package.rc
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++ QP_ROOT=/NOT/FOUND
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++ case "$(ps -p $$ -ocomm=)" in
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+++ ps -p 53467 -ocomm=
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+++ dirname '/users/p18005/veril/tmpdir/qp2/quantum_package.rc[0]'
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++ QP_ROOT=/users/p18005/veril/tmpdir/qp2
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+++ cd /users/p18005/veril/tmpdir/qp2
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+++ pwd -P
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++ export QP_ROOT=/tmpdir/veril/qp2
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++ QP_ROOT=/tmpdir/veril/qp2
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++ WD=/users/p18005/veril/tmpdir/Ec/pyridine/cc-pvdz
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++ cd /tmpdir/veril/qp2/etc
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++ for SCRIPT in '*.rc'
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++ source 00.qp_root.rc
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+++ export QP_ROOT=/tmpdir/veril/qp2
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+++ QP_ROOT=/tmpdir/veril/qp2
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++ for SCRIPT in '*.rc'
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++ source autocomplete.rc
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++++ ps -p 53467 -ocomm=
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+++ [[ slurm_script == \z\s\h ]]
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++ for SCRIPT in '*.rc'
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++ source configure.rc
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+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
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+++++ ps -p 53467 -ocomm=
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++++ [[ slurm_script == \z\s\h ]]
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+++ complete -F _configure_Complete configure
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++ for SCRIPT in '*.rc'
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++ source ezfio.rc
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+++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
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+++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
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+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
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+++++ ps -p 53467 -ocomm=
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++++ [[ slurm_script == \z\s\h ]]
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+++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
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++ for SCRIPT in '*.rc'
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++ source irpf90.rc
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+++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
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+++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
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+++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
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+++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
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+++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
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+++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
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+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
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+++++ ps -p 53467 -ocomm=
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++++ [[ slurm_script == \z\s\h ]]
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+++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
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++ for SCRIPT in '*.rc'
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++ source libraries.rc
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+++ QP_LIB=
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++ for SCRIPT in '*.rc'
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++ source local.rc
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++ for SCRIPT in '*.rc'
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++ source ninja.rc
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+++ export NINJA=/tmpdir/veril/qp2/bin/ninja
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+++ NINJA=/tmpdir/veril/qp2/bin/ninja
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++ for SCRIPT in '*.rc'
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++ source ocaml.rc
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+++ [[ -z /tmpdir/veril/qp2/external/opam ]]
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+++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
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++ for SCRIPT in '*.rc'
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++ source paths.rc
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+++ QP_PYTHON=
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+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
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+++ source ezfio.rc
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++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
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++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
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++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
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++++++ ps -p 53467 -ocomm=
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+++++ [[ slurm_script == \z\s\h ]]
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++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
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+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
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+++ source irpf90.rc
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++++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
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++++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
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++++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
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++++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
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++++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
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++++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
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++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
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++++++ ps -p 53467 -ocomm=
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+++++ [[ slurm_script == \z\s\h ]]
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++++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
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+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
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+++ source ninja.rc
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++++ export NINJA=/tmpdir/veril/qp2/bin/ninja
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++++ NINJA=/tmpdir/veril/qp2/bin/ninja
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+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
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+++ source ocaml.rc
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++++ [[ -z /tmpdir/veril/qp2/external/opam ]]
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++++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
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+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
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+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
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++++ qp_prepend_export PYTHONPATH /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
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++++ eval 'value_1=${PYTHONPATH}'
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+++++ value_1=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
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++++ [[ -z /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: ]]
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++++ echo /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
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+++ export PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
|
|||
|
+++ PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
|
|||
|
++++ qp_prepend_export PATH :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml
|
|||
|
++++ eval 'value_1=${PATH}'
|
|||
|
+++++ value_1=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
|
|||
|
++++ [[ -z /tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ]]
|
|||
|
++++ echo :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
|
|||
|
+++ export PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
|
|||
|
+++ PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
|
|||
|
++++ qp_prepend_export LD_LIBRARY_PATH /tmpdir/veril/qp2/lib
|
|||
|
++++ eval 'value_1=${LD_LIBRARY_PATH}'
|
|||
|
+++++ value_1=/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
|
|||
|
++++ [[ -z /tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib ]]
|
|||
|
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
|
|||
|
+++ export LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
|
|||
|
+++ LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
|
|||
|
++++ qp_prepend_export LIBRARY_PATH /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64
|
|||
|
++++ eval 'value_1=${LIBRARY_PATH}'
|
|||
|
+++++ value_1=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
|
|||
|
++++ [[ -z /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ]]
|
|||
|
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
|
|||
|
+++ export LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
|
|||
|
+++ LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
|
|||
|
++++ qp_prepend_export C_INCLUDE_PATH /tmpdir/veril/qp2/include
|
|||
|
++++ eval 'value_1=${C_INCLUDE_PATH}'
|
|||
|
+++++ value_1=/tmpdir/veril/qp2/include:
|
|||
|
++++ [[ -z /tmpdir/veril/qp2/include: ]]
|
|||
|
++++ echo /tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
|
|||
|
+++ export C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
|
|||
|
+++ C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
|
|||
|
++ for SCRIPT in '*.rc'
|
|||
|
++ source qp.rc
|
|||
|
++++ ps -p 53467 -ocomm=
|
|||
|
+++ [[ slurm_script == \z\s\h ]]
|
|||
|
+++ source /tmpdir/veril/qp2/etc/ezfio.rc
|
|||
|
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
|
|||
|
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
|
|||
|
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
|
|||
|
++++++ ps -p 53467 -ocomm=
|
|||
|
+++++ [[ slurm_script == \z\s\h ]]
|
|||
|
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
|
|||
|
+++ complete -F _qp_Complete qp
|
|||
|
++ cd /users/p18005/veril/tmpdir/Ec/pyridine/cc-pvdz
|
|||
|
++ [[ -z /tmpdir/veril/qp2 ]]
|
|||
|
+ set -e
|
|||
|
+ ./localize.sh pyridine.ang /tmpdir/veril/qp2/data/basis/cc-pvdz pyridine
|
|||
|
|
|||
|
Orbital localization
|
|||
|
|
|||
|
Method : Boys_er
|
|||
|
Separation type : Sigma/pi
|
|||
|
Max number of iterations : 1000000
|
|||
|
cc : 1e-05
|
|||
|
epsilon : 1.
|
|||
|
charge : 0
|
|||
|
Rotation pre angle : 0.001
|
|||
|
|
|||
|
Criterion max_angle norm_angle average_angle
|
|||
|
|
|||
|
Orbital lists:
|
|||
|
Core: [1,2,3,4,5,6,]
|
|||
|
Occupied: [7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,]
|
|||
|
Virtual: [22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,]
|
|||
|
Sigma occ: [7,8,9,10,11,12,13,14,15,16,17,18,]
|
|||
|
Pi occ: [19,20,21,]
|
|||
|
Sigma vir: [25,26,27,28,29,30,31,32,33,34,35,36,37,38,40,43,44,46,48,51,52,57,58,60,61,62,63,64,65,66,67,68,71,72,75,76,77,78,79,80,84,85,87,88,90,92,93,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,]
|
|||
|
Pi vir: [22,23,24,39,41,42,45,47,49,50,53,54,55,56,59,69,70,73,74,81,82,83,86,89,91,94,]
|
|||
|
|
|||
|
0 30.166775 0.784608 1.112038 0.001612
|
|||
|
1 40.310854 0.784595 0.079304 0.000115
|
|||
|
2 40.328214 -0.035494 0.061434 0.000089
|
|||
|
3 40.344503 0.034409 0.037578 0.000054
|
|||
|
4 40.349287 -0.018611 0.026822 0.000039
|
|||
|
5 40.354049 -0.018556 0.005542 0.000008
|
|||
|
6 40.354354 -0.002405 0.004376 0.000006
|
|||
|
7 40.354506 -0.001931 0.003421 0.000005
|
|||
|
8 40.354534 -0.001475 0.002711 0.000004
|
|||
|
9 40.354602 -0.001283 0.002014 0.000003
|
|||
|
10 40.354672 -0.001116 0.001252 0.000002
|
|||
|
11 40.354689 0.000644 0.000858 0.000001
|
|||
|
12 40.354693 0.000338 0.000713 0.000001
|
|||
|
13 40.354699 -0.000326 0.000544 0.000001
|
|||
|
14 40.354700 0.000309 0.000325 0.000000
|
|||
|
15 40.354702 -0.000219 0.000101 0.000000
|
|||
|
16 40.354702 -0.000055 0.000065 0.000000
|
|||
|
17 40.354702 0.000040 0.000031 0.000000
|
|||
|
18 40.354702 -0.000022 0.000003 0.000000
|
|||
|
19 40.354702 0.000002 0.000002 0.000000
|
|||
|
0 5.821145 -0.785100 6.085399 0.004410
|
|||
|
1 8.946591 0.784613 6.153455 0.004459
|
|||
|
2 12.378606 0.785252 5.676366 0.004113
|
|||
|
3 13.735326 -0.784855 5.602069 0.004059
|
|||
|
4 26.716175 0.784545 4.554012 0.003300
|
|||
|
5 28.057345 -0.784446 4.617365 0.003346
|
|||
|
6 29.743300 0.784903 4.192570 0.003038
|
|||
|
7 31.685406 0.784719 4.050459 0.002935
|
|||
|
8 32.925291 0.784620 4.168583 0.003021
|
|||
|
9 32.936094 0.750117 4.115638 0.002982
|
|||
|
10 36.076988 -0.731381 4.152194 0.003009
|
|||
|
11 43.117313 -0.767026 3.949407 0.002862
|
|||
|
12 44.823701 -0.753953 3.656780 0.002650
|
|||
|
13 50.294332 -0.746826 3.285042 0.002380
|
|||
|
14 53.403809 -0.727685 3.073856 0.002227
|
|||
|
15 60.435643 -0.765054 2.834868 0.002054
|
|||
|
16 62.258439 0.749859 2.439864 0.001768
|
|||
|
17 65.891379 -0.723194 2.337686 0.001694
|
|||
|
18 74.428964 0.599653 2.131339 0.001544
|
|||
|
19 77.222797 0.543907 2.207848 0.001600
|
|||
|
20 78.361735 0.724373 2.036472 0.001476
|
|||
|
21 80.818102 0.565437 1.940231 0.001406
|
|||
|
22 84.263710 0.362106 1.846263 0.001338
|
|||
|
23 84.974003 0.395649 1.751730 0.001269
|
|||
|
24 88.137500 0.334951 1.671809 0.001211
|
|||
|
25 90.240496 -0.326729 1.602777 0.001161
|
|||
|
26 92.088449 0.326335 1.540224 0.001116
|
|||
|
27 93.095563 -0.318031 1.529548 0.001108
|
|||
|
28 94.178226 -0.349780 1.441716 0.001045
|
|||
|
29 94.891823 0.275314 1.390614 0.001008
|
|||
|
30 95.901538 -0.325856 1.316146 0.000954
|
|||
|
31 97.330609 0.244246 1.314480 0.000953
|
|||
|
32 98.006376 0.270112 1.276083 0.000925
|
|||
|
33 98.649689 0.233757 1.240439 0.000899
|
|||
|
34 99.054342 -0.255171 1.197448 0.000868
|
|||
|
35 99.573784 -0.268491 1.163156 0.000843
|
|||
|
36 100.975184 -0.238395 1.149560 0.000833
|
|||
|
37 101.439514 -0.223848 1.106975 0.000802
|
|||
|
38 101.656061 0.220199 1.055021 0.000765
|
|||
|
39 101.970484 -0.219313 1.003965 0.000728
|
|||
|
40 102.423382 -0.207834 0.968895 0.000702
|
|||
|
41 105.585634 -0.205344 0.935035 0.000678
|
|||
|
42 105.993217 0.209303 0.884888 0.000641
|
|||
|
43 106.136637 -0.184622 0.843733 0.000611
|
|||
|
44 107.079692 0.177416 0.801879 0.000581
|
|||
|
45 107.309277 0.171934 0.761293 0.000552
|
|||
|
46 109.865397 -0.174142 0.716439 0.000519
|
|||
|
47 110.801122 0.168166 0.672817 0.000488
|
|||
|
48 111.479290 0.163545 0.626518 0.000454
|
|||
|
49 111.984966 -0.114780 0.613227 0.000444
|
|||
|
50 112.508080 0.114171 0.588197 0.000426
|
|||
|
51 112.900529 0.112969 0.570414 0.000413
|
|||
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56 96.268316 0.661189 5.117088 0.001711
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|
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|
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|
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|
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100 129.250074 0.543425 4.047500 0.001354
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101 130.211605 0.461226 4.205953 0.001407
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103 131.143631 -0.528163 4.057404 0.001357
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|
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|
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|
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|
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117 144.802927 0.441063 3.609732 0.001207
|
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|
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128 154.667896 0.359515 3.353526 0.001122
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136 160.023841 -0.421597 3.192765 0.001068
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|
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141 161.761175 0.353101 3.044112 0.001018
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143 162.137999 -0.426924 2.996810 0.001002
|
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144 162.786293 0.333315 2.932471 0.000981
|
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145 162.795010 0.317990 3.018958 0.001010
|
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146 162.799044 0.633303 2.913534 0.000974
|
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147 163.780211 -0.299481 3.040462 0.001017
|
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148 163.810842 -0.690235 2.956582 0.000989
|
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149 163.868590 0.551852 2.845131 0.000952
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|
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152 164.972427 -0.296693 2.793026 0.000934
|
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153 165.022152 0.305118 2.754970 0.000921
|
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154 167.217184 0.300201 2.810903 0.000940
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155 167.585631 -0.474363 2.696162 0.000902
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156 169.379808 -0.316716 2.693441 0.000901
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157 169.924933 -0.307079 2.670242 0.000893
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158 171.407377 -0.293894 2.670117 0.000893
|
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159 171.439239 0.324015 2.621202 0.000877
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160 171.949281 0.275618 2.677876 0.000896
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161 172.062089 0.360410 2.683429 0.000897
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162 172.169345 0.417884 2.616700 0.000875
|
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163 172.216316 0.276323 2.592192 0.000867
|
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164 174.267506 0.265374 2.848894 0.000953
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165 174.304419 0.736905 2.663852 0.000891
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175 179.118951 -0.233469 2.484692 0.000831
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177 179.393419 0.266059 2.428007 0.000812
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179 182.139754 0.239423 2.393804 0.000801
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180 183.060805 -0.222350 2.481584 0.000830
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181 183.093380 0.549976 2.358958 0.000789
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182 183.282738 0.224170 2.334644 0.000781
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183 183.770704 0.219244 2.380407 0.000796
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184 183.785868 -0.364694 2.319239 0.000776
|
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185 185.547308 -0.213017 2.315145 0.000774
|
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186 185.925998 0.211816 2.345927 0.000785
|
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187 185.932373 0.249037 2.319078 0.000776
|
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188 186.344037 -0.206768 2.318326 0.000775
|
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189 186.383506 0.212227 2.308126 0.000772
|
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190 186.828273 -0.213742 2.282002 0.000763
|
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191 187.325714 -0.201553 2.286724 0.000765
|
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192 187.328676 -0.224982 2.275818 0.000761
|
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193 187.357777 0.205017 2.249641 0.000752
|
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194 187.682131 -0.201334 2.314214 0.000774
|
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195 187.693598 -0.324222 2.269301 0.000759
|
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196 187.709634 0.315626 2.229055 0.000746
|
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197 188.472069 -0.194064 2.216601 0.000741
|
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198 188.772361 -0.206903 2.192924 0.000733
|
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199 188.868377 -0.201322 2.185234 0.000731
|
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200 190.439264 -0.211549 2.431053 0.000813
|
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|
201 190.469589 -0.757917 2.179603 0.000729
|
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202 190.513915 -0.222969 2.156755 0.000721
|
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203 192.986794 -0.205053 2.318462 0.000775
|
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204 192.999548 0.676879 2.117022 0.000708
|
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205 194.059538 0.188108 2.096744 0.000701
|
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206 194.589487 0.180411 2.065752 0.000691
|
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207 195.621611 -0.179004 2.054488 0.000687
|
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208 196.560323 -0.180805 2.052429 0.000686
|
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209 196.603249 0.229290 2.025800 0.000678
|
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210 198.704586 0.190179 2.017514 0.000675
|
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211 199.711516 -0.176921 2.003114 0.000670
|
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212 200.575550 0.176300 2.021277 0.000676
|
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213 200.604266 0.230089 1.995919 0.000668
|
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214 201.127259 0.186976 1.997472 0.000668
|
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215 201.218107 -0.221157 2.103638 0.000704
|
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216 201.269907 0.529197 1.969455 0.000659
|
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217 203.455310 0.194504 1.966006 0.000658
|
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218 203.540750 0.193595 1.975628 0.000661
|
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219 203.557734 0.239644 1.945162 0.000651
|
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220 203.569691 0.174163 1.933748 0.000647
|
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|
221 204.606240 -0.173636 1.949633 0.000652
|
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222 204.621924 0.205245 1.924629 0.000644
|
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223 205.248243 -0.172545 1.911401 0.000639
|
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|
224 205.552166 0.193067 1.932088 0.000646
|
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|
225 205.704026 0.249582 1.995435 0.000667
|
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|
226 205.713990 -0.427179 1.914143 0.000640
|
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227 205.952140 -0.206429 1.890717 0.000632
|
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228 206.574236 -0.202463 1.892501 0.000633
|
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229 206.648401 -0.173889 1.919863 0.000642
|
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230 206.660685 0.260291 1.892395 0.000633
|
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231 206.670642 -0.232820 1.862074 0.000623
|
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232 208.341781 0.172394 1.949191 0.000652
|
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233 208.371464 0.418895 1.870720 0.000626
|
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234 208.398503 -0.208189 1.844383 0.000617
|
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|
235 208.426293 -0.173608 1.827413 0.000611
|
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|
236 208.810229 -0.170529 1.843532 0.000617
|
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|
237 208.818406 -0.185274 1.823023 0.000610
|
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|
238 208.822449 -0.165965 1.806809 0.000604
|
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239 209.257856 0.157684 1.795424 0.000600
|
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240 209.397657 0.155321 1.776592 0.000594
|
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241 209.777417 0.162729 1.759610 0.000588
|
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242 209.891065 0.155122 1.776232 0.000594
|
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243 209.898950 0.271997 1.729723 0.000579
|
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|
244 210.050220 0.152987 1.733375 0.000580
|
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|
245 210.247257 -0.168533 1.715378 0.000574
|
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|
246 211.341729 -0.162068 1.719818 0.000575
|
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|
247 211.369208 0.176926 1.701531 0.000569
|
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|
248 212.000626 0.149338 1.684775 0.000563
|
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|
249 212.008065 0.148972 1.670308 0.000559
|
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|
250 212.085497 -0.148931 1.659343 0.000555
|
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|
251 214.469667 0.146673 1.641095 0.000549
|
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|
252 215.064813 0.145255 1.662235 0.000556
|
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|
253 215.070575 -0.233237 1.629809 0.000545
|
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|
254 215.073164 -0.142639 1.617707 0.000541
|
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|
255 215.117758 0.141952 1.608684 0.000538
|
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|
256 215.405294 0.141033 1.615511 0.000540
|
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|
257 215.423461 -0.170898 1.596995 0.000534
|
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|
258 215.719460 0.144315 1.585847 0.000530
|
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|
259 215.908378 0.140902 1.587505 0.000531
|
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|
260 216.265607 -0.138840 1.668964 0.000558
|
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|
261 216.299229 0.402826 1.580765 0.000529
|
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|
262 217.239383 0.158569 1.698047 0.000568
|
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|
263 217.242271 -0.333850 1.643749 0.000550
|
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|
264 217.275875 -0.291101 1.621715 0.000542
|
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|
265 217.352792 -0.229810 1.606994 0.000537
|
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|
266 217.368685 -0.192122 1.618948 0.000541
|
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|
267 217.438648 0.271493 1.595396 0.000534
|
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|
268 217.449689 0.223504 1.563326 0.000523
|
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|
269 217.715959 -0.159926 1.546063 0.000517
|
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270 217.886717 0.152074 1.527690 0.000511
|
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271 218.068364 0.143351 1.516279 0.000507
|
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|
272 219.046493 -0.139983 1.510305 0.000505
|
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|
273 219.540717 0.138588 1.530668 0.000512
|
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|
274 219.545319 0.232124 1.491742 0.000499
|
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275 219.682331 0.138571 1.481740 0.000496
|
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276 219.686735 0.140890 1.471292 0.000492
|
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277 219.947522 -0.137734 1.452849 0.000486
|
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278 220.197033 -0.134559 1.447488 0.000484
|
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279 220.198351 0.146087 1.433170 0.000479
|
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280 220.618909 0.126474 1.420026 0.000475
|
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281 221.712491 -0.122837 1.430826 0.000479
|
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282 221.720934 0.155831 1.414068 0.000473
|
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283 222.469642 -0.142052 1.453832 0.000486
|
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|
284 222.479361 -0.195610 1.427209 0.000477
|
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|
285 222.480270 -0.189667 1.401269 0.000469
|
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|
286 222.581077 0.134957 1.388090 0.000464
|
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|
287 222.842222 0.124592 1.377139 0.000461
|
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|
288 223.232239 -0.121605 1.367992 0.000458
|
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|
289 223.359611 -0.121431 1.389853 0.000465
|
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|
290 223.361037 0.185489 1.369252 0.000458
|
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|
291 223.364648 0.147629 1.353348 0.000453
|
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|
292 223.779727 -0.119948 1.366179 0.000457
|
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|
293 223.795398 0.129317 1.363780 0.000456
|
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|
294 223.835414 0.142944 1.365571 0.000457
|
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|
295 223.860487 -0.152050 1.359158 0.000455
|
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|
296 223.877870 -0.121918 1.351856 0.000452
|
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|
297 224.515241 -0.115121 1.373259 0.000459
|
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|
298 224.521902 0.174118 1.350898 0.000452
|
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|
299 224.698865 0.119379 1.349131 0.000451
|
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|
300 225.517149 0.118900 1.337026 0.000447
|
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|
301 225.895041 -0.116948 1.324035 0.000443
|
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|
302 226.567641 -0.114529 1.332705 0.000446
|
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|
303 226.571700 -0.175583 1.313135 0.000439
|
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|
304 227.235896 0.126227 1.303903 0.000436
|
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|
305 227.530080 -0.124553 1.296420 0.000434
|
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|
306 227.532169 0.133363 1.284007 0.000429
|
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|
307 227.687596 -0.110558 1.279008 0.000428
|
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|
308 228.169179 0.112449 1.275062 0.000426
|
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|
309 229.385355 -0.111533 1.270826 0.000425
|
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|
310 230.296183 0.109970 1.396057 0.000467
|
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|
311 230.302026 0.429956 1.256172 0.000420
|
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|
312 230.470871 -0.123651 1.249187 0.000418
|
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|
313 230.638718 -0.108790 1.248546 0.000418
|
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|
314 230.640235 -0.112531 1.239594 0.000415
|
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|
315 230.659206 0.106746 1.237179 0.000414
|
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|
316 230.676743 0.126504 1.224402 0.000409
|
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192 314.245158 -0.689239 10.388219 0.001457
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197 317.508185 -0.739918 10.430505 0.001463
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199 317.899848 0.669618 10.302350 0.001445
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200 318.099972 -0.761792 10.321641 0.001448
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203 318.739102 -0.732717 10.258304 0.001439
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204 319.015862 -0.659385 10.160643 0.001425
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205 319.856916 0.688600 10.180516 0.001428
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206 319.997865 -0.714345 10.184467 0.001428
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207 320.125200 -0.665341 10.182872 0.001428
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209 320.200577 -0.657571 10.081483 0.001414
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212 321.433288 -0.716544 9.994192 0.001402
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214 322.802589 -0.750371 9.999338 0.001402
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215 322.907806 -0.705825 9.989772 0.001401
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216 322.944553 0.703391 9.942493 0.001394
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217 323.786039 -0.639722 9.948713 0.001395
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223 325.699496 -0.634168 9.834359 0.001379
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224 325.999162 -0.771856 9.796955 0.001374
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225 326.580598 0.624060 9.800664 0.001375
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226 326.701597 0.684261 9.778108 0.001371
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229 328.817583 -0.679578 9.722139 0.001364
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239 332.925416 0.685575 9.577403 0.001343
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252 338.953668 0.621280 9.316713 0.001307
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253 339.073765 0.727203 9.234750 0.001295
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254 339.211462 0.607130 9.215857 0.001293
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255 339.910400 0.656818 9.241588 0.001296
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256 340.023745 -0.654405 9.208799 0.001292
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257 340.065844 -0.770390 9.146242 0.001283
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258 340.299722 -0.601392 9.172862 0.001287
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259 340.342665 -0.731995 9.090877 0.001275
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260 340.647693 0.686776 9.072310 0.001272
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261 341.037414 0.712741 9.123852 0.001280
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262 341.120169 -0.730192 9.101603 0.001277
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263 341.430161 -0.595330 9.078498 0.001273
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264 341.565283 0.613856 9.058785 0.001271
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265 341.600008 -0.589882 9.031072 0.001267
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266 342.207750 -0.588907 9.053041 0.001270
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267 342.588206 0.721365 9.060621 0.001271
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268 342.825492 0.720979 9.020813 0.001265
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269 342.953972 0.584735 8.965704 0.001257
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270 343.162521 -0.579145 8.970394 0.001258
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271 343.397837 -0.593523 9.001736 0.001263
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272 343.473718 -0.678172 8.958860 0.001257
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273 343.687369 0.576131 8.911933 0.001250
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274 344.515443 -0.551822 8.911578 0.001250
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275 344.927521 0.554167 8.903990 0.001249
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276 345.089695 -0.640949 8.934810 0.001253
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277 345.124438 0.772647 8.891135 0.001247
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278 345.365030 0.724256 8.851981 0.001242
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279 345.591808 -0.630907 8.806088 0.001235
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280 345.811237 -0.605733 8.772643 0.001230
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281 349.841556 0.550081 8.797305 0.001234
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282 349.986210 0.547140 8.793213 0.001233
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283 350.901045 0.535775 8.837913 0.001240
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284 351.403423 -0.730177 8.846936 0.001241
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285 351.998267 0.719443 8.864285 0.001243
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286 352.078151 0.778623 8.800350 0.001234
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287 352.416696 0.675356 8.916921 0.001251
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288 352.511758 0.733369 8.823159 0.001237
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289 352.615650 -0.640050 8.756208 0.001228
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290 352.719973 -0.623750 8.759970 0.001229
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291 352.875447 0.661358 8.727039 0.001224
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292 353.035690 -0.619330 8.729887 0.001224
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293 353.091172 0.551011 8.706899 0.001221
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294 354.190321 -0.545909 8.844624 0.001240
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295 354.392295 0.729549 8.768120 0.001230
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296 354.460529 0.640599 8.709734 0.001222
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297 355.379490 0.658266 8.864756 0.001243
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298 355.483723 -0.720819 8.785120 0.001232
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299 355.797447 -0.716281 8.781318 0.001232
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300 355.996473 0.673216 8.651979 0.001213
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301 356.228963 0.593317 8.695606 0.001220
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302 356.521954 0.711460 8.585259 0.001204
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303 356.707914 0.661398 8.505286 0.001193
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304 358.160537 -0.660609 8.554764 0.001200
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305 359.077187 -0.656217 8.540074 0.001198
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306 359.180867 0.619664 8.558827 0.001200
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307 359.400978 -0.706984 8.529912 0.001196
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308 359.952081 0.622038 8.576340 0.001203
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309 360.098961 0.545472 8.583035 0.001204
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310 360.632324 0.657110 8.575966 0.001203
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311 360.939795 0.635541 8.641959 0.001212
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312 361.211103 -0.742987 8.645048 0.001212
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313 361.342086 -0.658671 8.598160 0.001206
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314 361.533928 0.653616 8.559674 0.001201
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315 361.732819 -0.664240 8.526876 0.001196
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316 361.784730 0.598566 8.492779 0.001191
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317 362.042931 0.656612 8.559118 0.001200
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318 362.135061 -0.760190 8.583401 0.001204
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319 362.228439 -0.718134 8.527567 0.001196
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320 362.655827 0.544745 8.570724 0.001202
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321 362.894881 0.771682 8.520094 0.001195
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322 363.089301 0.724698 8.584797 0.001204
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323 363.241399 0.776545 8.488288 0.001191
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324 363.788080 -0.580683 8.542615 0.001198
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325 364.008717 -0.751009 8.599442 0.001206
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326 364.192565 0.729607 8.619891 0.001209
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327 364.226180 0.713300 8.587559 0.001204
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328 364.508585 0.677891 8.587860 0.001204
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329 364.932481 -0.574259 8.515825 0.001194
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330 367.197907 0.537124 8.709917 0.001222
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331 367.316247 0.740202 8.677394 0.001217
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332 367.370788 -0.722507 8.593431 0.001205
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333 368.126449 -0.742989 8.589746 0.001205
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334 368.201968 0.736502 8.440578 0.001184
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335 368.485905 0.690939 8.439327 0.001184
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336 368.580175 0.676151 8.425897 0.001182
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337 369.044538 -0.784850 8.360676 0.001173
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338 369.403551 0.578835 8.421630 0.001181
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339 369.527929 0.619816 8.449261 0.001185
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340 369.656423 0.719598 8.467295 0.001188
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341 370.040606 -0.761284 8.339515 0.001170
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342 370.335237 -0.528184 8.438484 0.001184
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343 370.434334 0.772851 8.344354 0.001170
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344 370.953847 0.647985 8.354998 0.001172
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345 371.201390 0.631360 8.395258 0.001177
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346 371.311837 0.774823 8.426341 0.001182
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347 371.585909 -0.784058 8.347082 0.001171
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348 371.745300 0.673927 8.270043 0.001160
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349 371.975934 -0.704514 8.223955 0.001153
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350 372.201384 0.550169 8.213237 0.001152
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351 373.075363 0.517042 8.296795 0.001164
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352 373.463110 -0.758889 8.289476 0.001163
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353 373.489375 -0.600606 8.250917 0.001157
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457 413.950437 0.400119 7.272414 0.001020
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|
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|
468 417.957059 0.400395 7.214663 0.001012
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|
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471 418.284545 -0.435983 7.118859 0.000998
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|
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|
|||
|
473 419.448551 0.499658 7.107616 0.000997
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|
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475 419.811167 -0.383468 7.150794 0.001003
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476 419.863967 0.769814 7.126738 0.001000
|
|||
|
477 419.878074 0.708898 7.058971 0.000990
|
|||
|
478 421.453150 0.431446 7.039015 0.000987
|
|||
|
479 422.164126 0.383407 7.043002 0.000988
|
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|
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|
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|
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|||
|
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|
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|
485 423.469803 -0.389606 6.929251 0.000972
|
|||
|
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|
|||
|
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|
|||
|
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|
|||
|
489 425.407738 0.372710 6.955201 0.000975
|
|||
|
490 425.951408 0.396670 6.950042 0.000975
|
|||
|
491 426.898800 0.445189 7.017153 0.000984
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|
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|
|||
|
493 427.096489 0.406240 6.947960 0.000974
|
|||
|
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|
|||
|
495 427.423290 0.364983 6.937587 0.000973
|
|||
|
496 429.618493 0.363227 6.997876 0.000981
|
|||
|
497 429.658552 -0.525585 7.042766 0.000988
|
|||
|
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|||
|
499 430.366495 -0.530181 7.211688 0.001011
|
|||
|
500 430.589712 -0.761008 7.248471 0.001017
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|||
|
501 430.605662 0.739112 7.150423 0.001003
|
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|
502 430.679238 0.655236 7.118357 0.000998
|
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|
503 430.877857 -0.640889 7.061238 0.000990
|
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|
504 431.054380 0.518178 7.065325 0.000991
|
|||
|
505 431.075474 -0.580754 7.004781 0.000982
|
|||
|
506 431.740159 0.489832 7.088372 0.000994
|
|||
|
507 432.127826 -0.581728 7.045532 0.000988
|
|||
|
508 432.245708 0.550151 7.035505 0.000987
|
|||
|
509 432.775619 -0.558303 7.112562 0.000998
|
|||
|
510 432.901220 0.660927 7.076887 0.000993
|
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|
511 432.986359 -0.565136 7.031492 0.000986
|
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|
512 433.066396 -0.450405 6.986185 0.000980
|
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|
513 433.912892 0.444909 7.013580 0.000984
|
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|
514 434.274544 -0.452378 6.988793 0.000980
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|
515 434.667716 0.448720 6.992912 0.000981
|
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|
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|
|||
|
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|
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|
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|
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|
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|
520 435.775468 0.598838 7.061457 0.000990
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|
523 436.329754 -0.466987 6.946557 0.000974
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|
524 436.418389 -0.437939 6.949404 0.000975
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|
525 436.507375 0.465140 6.947271 0.000974
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|
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|
527 436.840947 -0.728955 6.929391 0.000972
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528 436.869706 -0.441790 6.928003 0.000972
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|
529 437.002930 -0.422891 6.904983 0.000968
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530 437.284195 -0.421692 6.865684 0.000963
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531 437.325880 -0.408024 6.844918 0.000960
|
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|
532 437.338203 0.386232 6.830385 0.000958
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533 437.942063 -0.383479 6.814929 0.000956
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534 438.227878 -0.382009 6.812715 0.000955
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535 438.251644 0.365777 6.816835 0.000956
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536 438.272081 -0.495660 6.809146 0.000955
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537 438.293742 -0.400470 6.804281 0.000954
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538 438.833176 -0.363202 6.799926 0.000954
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539 439.059425 -0.421737 6.764976 0.000949
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540 439.415485 -0.373928 6.765642 0.000949
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559 444.544459 0.361794 6.562258 0.000920
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563 448.317570 0.747468 6.755353 0.000947
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564 448.841359 0.758069 6.770207 0.000950
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565 449.078124 -0.775199 6.695328 0.000939
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567 449.985555 0.467300 6.720067 0.000943
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568 450.098258 -0.757150 6.634726 0.000931
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569 450.637230 0.526427 6.716236 0.000942
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570 450.824620 -0.565020 6.740848 0.000945
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571 450.938399 0.613372 6.744133 0.000946
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575 451.484538 0.533813 6.737065 0.000945
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576 451.503003 -0.432503 6.712025 0.000941
|
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|
577 451.798946 0.425228 6.643327 0.000932
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578 451.815227 -0.399744 6.617036 0.000928
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579 452.078534 -0.388747 6.682149 0.000937
|
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|
580 452.091766 0.724908 6.614949 0.000928
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|
581 452.184434 -0.385304 6.610760 0.000927
|
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|
582 453.260834 -0.390237 6.656876 0.000934
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|
583 453.373071 0.745356 6.601162 0.000926
|
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|
584 453.599334 0.464225 6.596963 0.000925
|
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|
585 454.505447 -0.384437 6.699461 0.000940
|
|||
|
586 454.579963 0.755920 6.605360 0.000926
|
|||
|
587 454.641253 -0.459927 6.585890 0.000924
|
|||
|
588 455.695988 -0.379790 6.616161 0.000928
|
|||
|
589 455.826907 0.428521 6.601037 0.000926
|
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|
590 456.175938 0.375989 6.601960 0.000926
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|
591 456.231852 -0.371290 6.581001 0.000923
|
|||
|
592 456.525018 0.364773 6.572911 0.000922
|
|||
|
593 456.603663 -0.442103 6.549783 0.000919
|
|||
|
594 456.817127 0.361911 6.521385 0.000915
|
|||
|
595 457.321639 0.352634 6.482500 0.000909
|
|||
|
596 457.529618 -0.350674 6.506085 0.000912
|
|||
|
597 457.605204 -0.472158 6.481215 0.000909
|
|||
|
598 457.853715 0.348496 6.478991 0.000909
|
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|
599 458.698798 -0.425183 6.495394 0.000911
|
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|
600 458.822104 0.540664 6.427456 0.000901
|
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|
601 459.666451 -0.340729 6.420347 0.000900
|
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|
602 459.794001 -0.351281 6.407340 0.000899
|
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|
603 460.660847 -0.368048 6.484585 0.000909
|
|||
|
604 460.671670 0.537258 6.407592 0.000899
|
|||
|
605 461.226432 0.406112 6.452752 0.000905
|
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|
606 461.316951 -0.644956 6.408963 0.000899
|
|||
|
607 461.372066 -0.448222 6.376996 0.000894
|
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|
608 461.477582 0.361872 6.355781 0.000891
|
|||
|
609 463.218550 0.339876 6.462711 0.000906
|
|||
|
610 463.257200 -0.688662 6.397214 0.000897
|
|||
|
611 463.367234 0.626372 6.335568 0.000889
|
|||
|
612 463.439551 0.409586 6.308199 0.000885
|
|||
|
613 463.539599 0.387614 6.292569 0.000883
|
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|
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|
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|
877 555.895666 -0.203039 4.774886 0.000670
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|
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|
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|||
|
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|
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|
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|||
|
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|
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|
885 557.997037 0.209362 4.688903 0.000658
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|
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|
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888 558.910315 0.200257 4.666847 0.000655
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889 559.081294 0.200030 4.664180 0.000654
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|
890 559.641443 0.222671 4.660345 0.000654
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896 564.355727 0.209007 4.611186 0.000647
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900 565.889478 0.204711 4.623691 0.000648
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905 568.346145 -0.192725 4.588068 0.000643
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971 594.377677 0.559056 4.335481 0.000608
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972 594.387799 -0.272678 4.318291 0.000606
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975 594.649659 0.203026 4.293434 0.000602
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976 594.916093 0.202527 4.277783 0.000600
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977 596.571660 -0.185669 4.323787 0.000606
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978 596.580529 -0.386162 4.290358 0.000602
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979 596.730301 -0.207683 4.299246 0.000603
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980 596.797716 0.218630 4.291313 0.000602
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981 596.805003 0.216351 4.279228 0.000600
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982 597.643593 -0.188052 4.326730 0.000607
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983 597.650645 -0.508575 4.272527 0.000599
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984 597.659304 -0.192278 4.264034 0.000598
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985 598.649591 0.186256 4.263382 0.000598
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986 598.863036 -0.181177 4.264318 0.000598
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987 598.943882 -0.180787 4.254651 0.000597
|
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|
988 599.405000 0.179404 4.246774 0.000596
|
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|
989 599.592667 0.179337 4.244044 0.000595
|
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|
990 600.005694 0.177868 4.261674 0.000598
|
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|
991 600.030178 0.268748 4.257345 0.000597
|
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|
992 600.033386 0.244197 4.247058 0.000596
|
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|
993 600.047125 -0.207974 4.241304 0.000595
|
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|
994 600.103004 -0.237990 4.234056 0.000594
|
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|
995 600.418242 -0.177648 4.228994 0.000593
|
|||
|
996 600.421422 0.176359 4.221860 0.000592
|
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|
997 601.045322 0.175937 4.227199 0.000593
|
|||
|
998 601.093566 0.296502 4.208343 0.000590
|
|||
|
999 601.519668 -0.174773 4.206616 0.000590
|
|||
|
1000 601.582264 -0.199371 4.198665 0.000589
|
|||
|
1001 601.609172 -0.225899 4.185903 0.000587
|
|||
|
1002 601.824843 0.175770 4.178371 0.000586
|
|||
|
1003 601.975759 -0.191032 4.168396 0.000585
|
|||
|
1004 602.623687 -0.176474 4.166020 0.000584
|
|||
|
1005 603.424635 0.174327 4.168413 0.000585
|
|||
|
1006 603.573825 0.263846 4.167737 0.000585
|
|||
|
1007 603.654981 0.204841 4.154980 0.000583
|
|||
|
1008 603.667423 -0.193725 4.146113 0.000582
|
|||
|
1009 604.168339 -0.181743 4.142353 0.000581
|
|||
|
1010 604.197744 -0.194762 4.131407 0.000579
|
|||
|
1011 604.271051 0.176749 4.129491 0.000579
|
|||
|
1012 604.365305 -0.174285 4.129738 0.000579
|
|||
|
1013 604.490285 -0.187662 4.118263 0.000578
|
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|
1014 605.222074 0.181147 4.112169 0.000577
|
|||
|
1015 605.288972 -0.173138 4.106535 0.000576
|
|||
|
1016 605.705904 0.172956 4.096995 0.000575
|
|||
|
1017 607.178625 -0.172572 4.098697 0.000575
|
|||
|
1018 607.265491 0.284968 4.075092 0.000572
|
|||
|
1019 607.519357 0.173593 4.066013 0.000570
|
|||
|
1020 607.536188 -0.172141 4.060230 0.000569
|
|||
|
1021 607.890504 -0.172079 4.055334 0.000569
|
|||
|
1022 607.945532 0.171669 4.055726 0.000569
|
|||
|
1023 608.009581 -0.189024 4.046711 0.000568
|
|||
|
1024 608.488689 -0.170727 4.042229 0.000567
|
|||
|
1025 608.644770 -0.169566 4.037900 0.000566
|
|||
|
1026 609.302266 -0.178961 4.037919 0.000566
|
|||
|
1027 609.404711 -0.182602 4.033119 0.000566
|
|||
|
1028 609.414235 0.171366 4.023787 0.000564
|
|||
|
1029 609.736074 -0.168348 4.013809 0.000563
|
|||
|
1030 610.660115 -0.168066 4.064907 0.000570
|
|||
|
1031 610.664241 0.378833 4.029465 0.000565
|
|||
|
1032 610.677567 -0.318568 4.005286 0.000562
|
|||
|
1033 610.698568 0.208302 3.997313 0.000561
|
|||
|
1034 610.726027 0.173981 3.990766 0.000560
|
|||
|
1035 611.452429 -0.167944 3.986060 0.000559
|
|||
|
1036 611.525309 -0.197026 3.976659 0.000558
|
|||
|
1037 611.717052 -0.166470 3.971124 0.000557
|
|||
|
1038 614.079774 -0.166259 3.970223 0.000557
|
|||
|
1039 614.145655 -0.169018 3.961486 0.000556
|
|||
|
1040 614.917926 -0.166059 3.950691 0.000554
|
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|
1041 616.484194 -0.164926 3.943401 0.000553
|
|||
|
1042 619.799263 0.164675 3.936030 0.000552
|
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|
1043 619.995931 0.169317 3.932068 0.000551
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|
1044 620.537056 -0.163809 3.930459 0.000551
|
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|
1045 620.687169 0.163681 3.925934 0.000551
|
|||
|
1046 620.720500 0.168971 3.919810 0.000550
|
|||
|
1047 621.343007 0.161821 3.918716 0.000550
|
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|
1048 621.797787 -0.161442 3.921707 0.000550
|
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|
1049 621.877594 -0.196917 3.917590 0.000549
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|
1050 621.912384 -0.202519 3.915323 0.000549
|
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|
1051 621.929790 -0.222950 3.903129 0.000547
|
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|
1052 622.863065 -0.171684 4.000551 0.000561
|
|||
|
1053 622.867201 0.627178 3.902679 0.000547
|
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|
1054 623.455102 -0.164802 3.903831 0.000548
|
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|
1055 623.496293 0.217942 3.888110 0.000545
|
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1056 623.530538 0.180222 3.899410 0.000547
|
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|
1057 623.532555 -0.262059 3.881936 0.000544
|
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|
1058 623.579418 0.160604 3.877697 0.000544
|
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|
1059 623.722135 0.170096 3.879249 0.000544
|
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|
1060 623.728096 -0.173573 3.872433 0.000543
|
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|
1061 625.545205 -0.164771 3.858540 0.000541
|
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|
1062 625.624225 0.184582 3.856314 0.000541
|
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|
1063 625.647557 0.197949 3.844777 0.000539
|
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1064 627.195603 -0.165136 3.848375 0.000540
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|
1065 627.921173 0.159460 3.848550 0.000540
|
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|
1066 627.986974 0.173115 3.864168 0.000542
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|
1067 628.005038 -0.327836 3.839445 0.000538
|
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1068 628.018403 -0.195165 3.829012 0.000537
|
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|
1069 628.065636 -0.161414 3.829059 0.000537
|
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|
1070 628.684547 -0.159424 3.850896 0.000540
|
|||
|
1071 628.685472 0.232544 3.838195 0.000538
|
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|
1072 628.742791 -0.189214 3.920206 0.000550
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1073 628.750267 0.597501 3.826401 0.000537
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|
1074 628.891445 0.159106 3.821421 0.000536
|
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|
1075 629.106032 -0.168471 3.813688 0.000535
|
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|
1076 630.641099 -0.168357 3.805297 0.000534
|
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|
1077 631.354729 0.159115 3.804904 0.000534
|
|||
|
1078 631.478653 -0.230615 3.802044 0.000533
|
|||
|
1079 631.509017 0.164347 3.797748 0.000533
|
|||
|
1080 631.521595 0.182158 3.787228 0.000531
|
|||
|
1081 632.184676 -0.156150 3.778740 0.000530
|
|||
|
1082 632.857761 -0.164385 3.778757 0.000530
|
|||
|
1083 632.909617 0.156083 3.773892 0.000529
|
|||
|
1084 633.951788 0.154533 3.854143 0.000541
|
|||
|
1085 633.972027 -0.568272 3.773017 0.000529
|
|||
|
1086 634.041330 -0.179956 3.763756 0.000528
|
|||
|
1087 635.617838 0.155789 3.776077 0.000530
|
|||
|
1088 635.773307 -0.209563 3.759347 0.000527
|
|||
|
1089 635.819456 0.154010 3.757461 0.000527
|
|||
|
1090 635.939548 0.153853 3.754255 0.000527
|
|||
|
1091 635.960682 -0.159498 3.751688 0.000526
|
|||
|
1092 636.642949 -0.153847 3.755705 0.000527
|
|||
|
1093 636.645261 0.219620 3.742552 0.000525
|
|||
|
1094 637.205620 -0.152908 3.727653 0.000523
|
|||
|
1095 637.950075 0.152098 3.725118 0.000522
|
|||
|
1096 638.389515 0.167975 3.714728 0.000521
|
|||
|
1097 638.816283 0.151830 3.711047 0.000520
|
|||
|
1098 639.372676 0.151637 3.715408 0.000521
|
|||
|
1099 639.386809 -0.205379 3.703844 0.000519
|
|||
|
1100 639.398748 -0.158655 3.694722 0.000518
|
|||
|
1101 639.876413 0.150812 3.711707 0.000521
|
|||
|
1102 639.917765 0.265082 3.693492 0.000518
|
|||
|
1103 640.397222 0.175067 3.684396 0.000517
|
|||
|
1104 640.513204 -0.156681 3.680746 0.000516
|
|||
|
1105 640.593891 0.155929 3.686519 0.000517
|
|||
|
1106 640.595886 0.229410 3.672311 0.000515
|
|||
|
1107 641.133932 -0.152444 3.666347 0.000514
|
|||
|
1108 641.556145 0.149871 3.663669 0.000514
|
|||
|
1109 642.613064 -0.149129 3.666901 0.000514
|
|||
|
1110 642.639741 0.255121 3.650918 0.000512
|
|||
|
1111 642.928145 0.147792 3.643969 0.000511
|
|||
|
1112 643.072461 0.146672 3.637423 0.000510
|
|||
|
1113 643.189896 0.146336 3.631867 0.000509
|
|||
|
1114 643.862993 -0.146886 3.632611 0.000509
|
|||
|
1115 644.092226 -0.171021 3.635219 0.000510
|
|||
|
1116 644.149343 0.192328 3.629344 0.000509
|
|||
|
1117 644.180876 -0.201647 3.616291 0.000507
|
|||
|
1118 645.337995 -0.150488 3.616639 0.000507
|
|||
|
1119 645.371744 0.164052 3.613059 0.000507
|
|||
|
1120 646.654966 0.146778 3.611644 0.000507
|
|||
|
1121 646.792704 0.157394 3.605528 0.000506
|
|||
|
1122 647.056590 0.146302 3.610573 0.000506
|
|||
|
1123 647.074932 -0.196649 3.598926 0.000505
|
|||
|
1124 647.078282 0.153373 3.593658 0.000504
|
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|
1864 832.134417 0.074077 1.695080 0.000238
|
|||
|
1865 832.177147 0.064540 1.694588 0.000238
|
|||
|
1866 832.184608 0.069965 1.692018 0.000237
|
|||
|
1867 832.201208 0.064483 1.690363 0.000237
|
|||
|
1868 832.249607 0.061643 1.688791 0.000237
|
|||
|
1869 832.303476 0.061401 1.686529 0.000237
|
|||
|
1870 832.493776 0.062071 1.685176 0.000236
|
|||
|
1871 832.535145 0.065439 1.683220 0.000236
|
|||
|
1872 832.546266 0.065720 1.680549 0.000236
|
|||
|
1873 832.559453 -0.061346 1.677509 0.000235
|
|||
|
1874 832.670770 -0.061142 1.675962 0.000235
|
|||
|
1875 832.671169 -0.060926 1.673725 0.000235
|
|||
|
1876 832.747394 -0.062728 1.671716 0.000234
|
|||
|
1877 832.774267 0.062934 1.672159 0.000235
|
|||
|
1878 832.774976 -0.064679 1.670060 0.000234
|
|||
|
1879 833.240928 -0.060566 1.665128 0.000234
|
|||
|
1880 834.095077 -0.060526 1.664100 0.000233
|
|||
|
1881 834.239175 0.060293 1.664330 0.000233
|
|||
|
1882 834.242565 -0.068138 1.662470 0.000233
|
|||
|
1883 834.273882 0.060230 1.660418 0.000233
|
|||
|
1884 834.360753 0.062725 1.659013 0.000233
|
|||
|
1885 834.400197 -0.060332 1.659066 0.000233
|
|||
|
1886 834.565120 -0.061226 1.660565 0.000233
|
|||
|
1887 834.567269 0.090899 1.656320 0.000232
|
|||
|
1888 834.570145 0.061247 1.653493 0.000232
|
|||
|
1889 834.573403 0.059834 1.651312 0.000232
|
|||
|
1890 834.724249 -0.059650 1.651619 0.000232
|
|||
|
1891 835.529889 0.059638 1.655492 0.000232
|
|||
|
1892 835.530637 -0.083576 1.650591 0.000231
|
|||
|
1893 835.539796 -0.063276 1.648341 0.000231
|
|||
|
1894 835.719637 -0.059718 1.647584 0.000231
|
|||
|
1895 835.818458 -0.060778 1.646587 0.000231
|
|||
|
1896 835.974408 -0.060453 1.644318 0.000231
|
|||
|
1897 836.140918 0.059562 1.644911 0.000231
|
|||
|
1898 836.141726 0.072825 1.641663 0.000230
|
|||
|
1899 836.464549 0.059284 1.639092 0.000230
|
|||
|
1900 836.879610 -0.059202 1.862032 0.000261
|
|||
|
1901 836.888672 -0.625745 1.642701 0.000230
|
|||
|
1902 836.899214 0.073638 1.655786 0.000232
|
|||
|
1903 836.902171 -0.160974 1.639360 0.000230
|
|||
|
1904 837.247545 0.068459 1.640351 0.000230
|
|||
|
1905 837.248266 -0.082270 1.635861 0.000229
|
|||
|
1906 837.311507 0.060853 1.635436 0.000229
|
|||
|
1907 837.435851 0.059082 1.634540 0.000229
|
|||
|
1908 837.752819 -0.059073 1.677622 0.000235
|
|||
|
1909 837.755797 0.272863 1.632866 0.000229
|
|||
|
1910 837.965252 -0.058958 1.630738 0.000229
|
|||
|
1911 838.100085 0.062765 1.628137 0.000228
|
|||
|
1912 838.784232 -0.058941 1.624905 0.000228
|
|||
|
1913 839.060426 -0.058682 1.622456 0.000228
|
|||
|
1914 839.146278 -0.059574 1.622352 0.000228
|
|||
|
1915 839.158607 0.072921 1.620156 0.000227
|
|||
|
1916 839.174142 0.066485 1.616912 0.000227
|
|||
|
1917 839.209544 -0.059209 1.615400 0.000227
|
|||
|
1918 839.363652 0.059231 1.614895 0.000226
|
|||
|
1919 839.367712 0.059557 1.611876 0.000226
|
|||
|
1920 839.503721 0.058659 1.609957 0.000226
|
|||
|
1921 839.991139 0.058531 1.605857 0.000225
|
|||
|
1922 840.442926 -0.058192 1.604685 0.000225
|
|||
|
1923 840.557850 0.058085 1.602323 0.000225
|
|||
|
1924 840.720644 -0.057797 1.600369 0.000224
|
|||
|
1925 841.199683 0.057180 1.598391 0.000224
|
|||
|
1926 841.646932 -0.057100 1.596817 0.000224
|
|||
|
1927 841.744780 -0.056990 1.595202 0.000224
|
|||
|
1928 841.855977 -0.057415 1.594562 0.000224
|
|||
|
1929 841.856669 -0.060611 1.592199 0.000223
|
|||
|
1930 842.056758 -0.056838 1.591463 0.000223
|
|||
|
1931 842.335768 0.056823 1.587612 0.000223
|
|||
|
1932 842.454190 0.056778 1.584559 0.000222
|
|||
|
1933 842.604958 -0.057505 1.584061 0.000222
|
|||
|
1934 842.651172 0.057791 1.581438 0.000222
|
|||
|
1935 842.772176 -0.056487 1.579942 0.000222
|
|||
|
1936 843.056400 -0.056325 1.581109 0.000222
|
|||
|
1937 843.057107 -0.065417 1.578439 0.000221
|
|||
|
1938 843.351267 0.058427 1.578233 0.000221
|
|||
|
1939 843.352010 0.064095 1.575697 0.000221
|
|||
|
1940 843.604037 -0.057447 1.573883 0.000221
|
|||
|
1941 844.081189 0.056988 1.578903 0.000221
|
|||
|
1942 844.083012 0.099896 1.572545 0.000221
|
|||
|
1943 844.146710 -0.058252 1.573153 0.000221
|
|||
|
1944 844.160512 -0.061227 1.571465 0.000220
|
|||
|
1945 844.286149 0.056041 1.570379 0.000220
|
|||
|
1946 844.295286 0.065387 1.567827 0.000220
|
|||
|
1947 844.501815 -0.056804 1.567483 0.000220
|
|||
|
1948 844.611395 0.055954 1.566102 0.000220
|
|||
|
1949 844.656941 0.060332 1.563810 0.000219
|
|||
|
1950 844.953632 -0.055627 1.561267 0.000219
|
|||
|
1951 845.078905 -0.055583 1.559591 0.000219
|
|||
|
1952 845.144993 -0.055316 1.557751 0.000218
|
|||
|
1953 845.475985 0.057108 1.554817 0.000218
|
|||
|
1954 845.683736 0.055192 1.554856 0.000218
|
|||
|
1955 845.684602 0.061083 1.552488 0.000218
|
|||
|
1956 845.827233 -0.055155 1.552343 0.000218
|
|||
|
1957 845.831590 -0.062619 1.550261 0.000217
|
|||
|
1958 845.919971 0.055071 1.547863 0.000217
|
|||
|
1959 845.980836 0.056520 1.547425 0.000217
|
|||
|
1960 846.129487 -0.054740 1.545503 0.000217
|
|||
|
1961 846.216321 -0.058141 1.542926 0.000216
|
|||
|
1962 846.339395 -0.055548 1.540425 0.000216
|
|||
|
1963 846.555296 0.054882 1.539654 0.000216
|
|||
|
1964 846.556469 0.070983 1.535736 0.000215
|
|||
|
1965 846.713006 0.056419 1.534615 0.000215
|
|||
|
1966 846.720698 0.058705 1.533076 0.000215
|
|||
|
1967 846.741026 0.056835 1.530677 0.000215
|
|||
|
1968 846.844036 0.054503 1.529268 0.000214
|
|||
|
1969 846.851059 0.055001 1.528685 0.000214
|
|||
|
1970 846.852780 -0.068645 1.525584 0.000214
|
|||
|
1971 846.967715 -0.054494 1.524639 0.000214
|
|||
|
1972 847.434404 0.054382 1.525813 0.000214
|
|||
|
1973 847.435278 0.074559 1.522086 0.000213
|
|||
|
1974 848.138711 0.054696 1.525476 0.000214
|
|||
|
1975 848.139502 -0.089361 1.520349 0.000213
|
|||
|
1976 848.193129 0.054209 1.518256 0.000213
|
|||
|
1977 848.241535 0.054129 1.516337 0.000213
|
|||
|
1978 848.348771 -0.054512 1.514796 0.000212
|
|||
|
1979 848.349345 0.062881 1.512233 0.000212
|
|||
|
1980 848.633640 0.053792 1.511150 0.000212
|
|||
|
1981 848.639090 0.056148 1.509839 0.000212
|
|||
|
1982 848.646818 0.054257 1.508583 0.000212
|
|||
|
1983 848.869980 0.053792 1.513512 0.000212
|
|||
|
1984 848.870736 0.091791 1.508168 0.000212
|
|||
|
1985 848.906474 -0.053750 1.506168 0.000211
|
|||
|
1986 848.939692 -0.053940 1.502866 0.000211
|
|||
|
1987 849.089061 -0.053624 1.502490 0.000211
|
|||
|
1988 849.184284 0.053401 1.501614 0.000211
|
|||
|
1989 849.226038 0.053375 1.500969 0.000211
|
|||
|
1990 849.416323 -0.053063 1.501297 0.000211
|
|||
|
1991 849.417405 0.064426 1.498154 0.000210
|
|||
|
1992 849.631820 0.053705 1.496887 0.000210
|
|||
|
1993 849.636666 0.056511 1.495053 0.000210
|
|||
|
1994 849.783157 0.054963 1.493186 0.000209
|
|||
|
1995 849.795141 0.054407 1.493989 0.000210
|
|||
|
1996 849.795843 0.071058 1.490979 0.000209
|
|||
|
1997 849.813150 0.054534 1.488706 0.000209
|
|||
|
1998 849.993304 0.054519 1.486884 0.000209
|
|||
|
1999 850.117750 -0.054010 1.484648 0.000208
|
|||
|
2000 850.368861 0.052892 1.490344 0.000209
|
|||
|
2001 850.370380 -0.105958 1.482735 0.000208
|
|||
|
2002 850.735464 0.054766 1.483022 0.000208
|
|||
|
2003 850.978966 0.052735 1.482388 0.000208
|
|||
|
2004 851.056269 0.053569 1.480430 0.000208
|
|||
|
2005 851.065895 0.052620 1.480602 0.000208
|
|||
|
2006 851.113436 -0.052553 1.479887 0.000208
|
|||
|
2007 851.113733 0.056629 1.477588 0.000207
|
|||
|
2008 851.473339 -0.054792 1.480254 0.000208
|
|||
|
2009 851.473934 -0.088068 1.475213 0.000207
|
|||
|
2010 851.478201 0.054652 1.472934 0.000207
|
|||
|
2011 851.503482 0.053439 1.470142 0.000206
|
|||
|
2012 851.915795 0.052517 1.473501 0.000207
|
|||
|
2013 851.916971 0.088856 1.467760 0.000206
|
|||
|
2014 851.922349 -0.052594 1.466366 0.000206
|
|||
|
2015 852.145262 0.052481 1.467545 0.000206
|
|||
|
2016 852.146567 0.054374 1.466090 0.000206
|
|||
|
2017 852.148707 -0.057778 1.463755 0.000205
|
|||
|
2018 852.338425 0.052466 1.463507 0.000205
|
|||
|
2019 852.341434 -0.057618 1.462056 0.000205
|
|||
|
2020 852.362686 0.052380 1.459242 0.000205
|
|||
|
2021 852.393313 -0.052276 1.457514 0.000204
|
|||
|
2022 852.398107 0.052025 1.455672 0.000204
|
|||
|
2023 852.557862 0.051691 1.453608 0.000204
|
|||
|
2024 852.729004 -0.051349 1.450974 0.000204
|
|||
|
2025 852.746303 0.051278 1.448974 0.000203
|
|||
|
2026 852.784970 0.051148 1.447020 0.000203
|
|||
|
2027 853.050441 0.051212 1.445965 0.000203
|
|||
|
2028 853.060379 0.051122 1.444700 0.000203
|
|||
|
2029 853.194902 0.050965 1.445163 0.000203
|
|||
|
2030 853.195215 0.057719 1.442722 0.000202
|
|||
|
2031 853.218525 0.050910 1.441723 0.000202
|
|||
|
2032 853.224541 0.050790 1.442049 0.000202
|
|||
|
2033 853.224861 0.050653 1.440196 0.000202
|
|||
|
2034 853.273383 -0.051618 1.439280 0.000202
|
|||
|
2035 853.454586 0.050490 1.438150 0.000202
|
|||
|
2036 853.540560 -0.050402 1.435834 0.000201
|
|||
|
2037 853.601135 0.051284 1.434701 0.000201
|
|||
|
2038 853.630115 0.053384 1.432893 0.000201
|
|||
|
2039 853.750756 0.050395 1.433307 0.000201
|
|||
|
2040 853.751736 0.071227 1.429343 0.000200
|
|||
|
2041 853.835459 0.050394 1.428299 0.000200
|
|||
|
2042 854.041453 0.050333 1.425980 0.000200
|
|||
|
2043 854.195714 -0.050160 1.424095 0.000200
|
|||
|
2044 854.435721 -0.049991 1.423832 0.000200
|
|||
|
2045 854.675960 -0.049655 1.422828 0.000200
|
|||
|
2046 855.046175 -0.049473 1.420031 0.000199
|
|||
|
2047 855.058133 0.051368 1.417381 0.000199
|
|||
|
2048 855.651100 -0.049570 1.421260 0.000199
|
|||
|
2049 855.652213 0.092003 1.415018 0.000198
|
|||
|
2050 855.665601 0.051960 1.412848 0.000198
|
|||
|
2051 855.700410 -0.049472 1.412366 0.000198
|
|||
|
2052 855.795617 0.049677 1.411995 0.000198
|
|||
|
2053 855.835417 -0.052547 1.411940 0.000198
|
|||
|
2054 855.919481 -0.049446 1.410816 0.000198
|
|||
|
2055 856.273687 0.049196 1.408482 0.000198
|
|||
|
2056 856.456145 0.049170 1.406527 0.000197
|
|||
|
2057 856.550390 0.049156 1.405321 0.000197
|
|||
|
2058 856.645848 -0.049010 1.404191 0.000197
|
|||
|
2059 856.651356 -0.048971 1.403082 0.000197
|
|||
|
2060 856.757452 -0.048965 1.401440 0.000197
|
|||
|
2061 856.948293 0.049022 1.398077 0.000196
|
|||
|
2062 857.065994 -0.048775 1.397678 0.000196
|
|||
|
2063 857.068091 -0.049003 1.396343 0.000196
|
|||
|
2064 857.183551 -0.048609 1.394188 0.000196
|
|||
|
2065 857.308311 -0.048588 1.395285 0.000196
|
|||
|
2066 857.308726 0.061516 1.392546 0.000195
|
|||
|
2067 857.315653 0.050702 1.390782 0.000195
|
|||
|
2068 857.436898 0.048425 1.389983 0.000195
|
|||
|
2069 857.650417 -0.048398 1.388593 0.000195
|
|||
|
2070 857.744736 0.048343 1.385735 0.000194
|
|||
|
2071 858.008554 0.049242 1.383704 0.000194
|
|||
|
2072 858.013694 0.048732 1.381895 0.000194
|
|||
|
2073 858.034428 0.049287 1.382353 0.000194
|
|||
|
2074 858.034773 -0.052197 1.380282 0.000194
|
|||
|
2075 858.213493 0.048302 1.379560 0.000193
|
|||
|
2076 858.250697 -0.048268 1.377631 0.000193
|
|||
|
2077 858.293136 -0.048260 1.376160 0.000193
|
|||
|
2078 858.299096 -0.050931 1.373772 0.000193
|
|||
|
2079 858.326396 0.048178 1.372893 0.000193
|
|||
|
2080 858.327669 -0.051864 1.371331 0.000192
|
|||
|
2081 858.357190 -0.051013 1.371439 0.000192
|
|||
|
2082 858.391876 0.048676 1.370270 0.000192
|
|||
|
2083 858.489038 -0.048166 1.370050 0.000192
|
|||
|
2084 858.489958 0.053453 1.367933 0.000192
|
|||
|
2085 858.676898 0.048101 1.366493 0.000192
|
|||
|
2086 858.709797 0.047923 1.364648 0.000191
|
|||
|
2087 858.888377 0.047863 1.364321 0.000191
|
|||
|
2088 859.239157 -0.047853 1.363190 0.000191
|
|||
|
2089 859.280407 -0.048010 1.363391 0.000191
|
|||
|
2090 859.280663 -0.065940 1.360410 0.000191
|
|||
|
2091 859.505021 -0.049168 1.370247 0.000192
|
|||
|
2092 859.506254 0.124593 1.358676 0.000191
|
|||
|
2093 859.589942 0.048229 1.356976 0.000190
|
|||
|
2094 859.909310 0.047808 1.355488 0.000190
|
|||
|
2095 860.277602 0.047688 1.354388 0.000190
|
|||
|
2096 860.292392 0.047668 1.352663 0.000190
|
|||
|
2097 860.295321 0.047632 1.351116 0.000189
|
|||
|
2098 860.348200 -0.047538 1.348928 0.000189
|
|||
|
2099 860.392907 0.048488 1.347635 0.000189
|
|||
|
2100 860.441364 0.048055 1.346119 0.000189
|
|||
|
2101 860.560402 0.048443 1.344540 0.000189
|
|||
|
2102 860.565825 0.049051 1.342368 0.000188
|
|||
|
2103 860.612146 0.047450 1.341004 0.000188
|
|||
|
2104 860.819731 -0.047449 1.338964 0.000188
|
|||
|
2105 860.891207 -0.047306 1.337575 0.000188
|
|||
|
2106 860.925979 0.047379 1.336667 0.000187
|
|||
|
2107 861.219804 0.047245 1.335819 0.000187
|
|||
|
2108 861.418163 -0.047219 1.334164 0.000187
|
|||
|
2109 861.493308 -0.047063 1.332272 0.000187
|
|||
|
2110 861.593135 -0.047001 1.329837 0.000187
|
|||
|
2111 861.716489 0.048670 1.328923 0.000186
|
|||
|
2112 861.912055 0.046910 1.326683 0.000186
|
|||
|
2113 862.031027 -0.046891 1.325148 0.000186
|
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3299 910.880476 0.012239 0.289203 0.000041
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3310 910.967999 0.012041 0.283538 0.000040
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3318 910.991132 0.012697 0.280015 0.000039
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|
3319 911.005231 -0.011883 0.279506 0.000039
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|
3320 911.015275 -0.011841 0.279013 0.000039
|
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|
3321 911.024968 -0.011818 0.278470 0.000039
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|
3322 911.033458 -0.011794 0.277982 0.000039
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|
3323 911.033934 0.011968 0.277644 0.000039
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|
3324 911.039807 0.011770 0.277266 0.000039
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|||
|
3325 911.040676 0.011756 0.276850 0.000039
|
|||
|
3326 911.047294 -0.011736 0.276331 0.000039
|
|||
|
3327 911.047317 0.011708 0.275825 0.000039
|
|||
|
3328 911.051648 0.011707 0.275238 0.000039
|
|||
|
3329 911.061488 0.011665 0.274803 0.000039
|
|||
|
3330 911.064601 0.011635 0.274308 0.000038
|
|||
|
3331 911.064645 0.012466 0.273679 0.000038
|
|||
|
3332 911.071061 -0.011588 0.273229 0.000038
|
|||
|
3333 911.072212 -0.011711 0.272938 0.000038
|
|||
|
3334 911.082103 0.011582 0.272471 0.000038
|
|||
|
3335 911.091847 -0.011573 0.271932 0.000038
|
|||
|
3336 911.111285 -0.011557 0.271454 0.000038
|
|||
|
3337 911.143544 0.011543 0.271051 0.000038
|
|||
|
3338 911.145723 -0.011454 0.270619 0.000038
|
|||
|
3339 911.155059 -0.011436 0.270077 0.000038
|
|||
|
3340 911.155513 -0.011675 0.269828 0.000038
|
|||
|
3341 911.160355 0.011427 0.269284 0.000038
|
|||
|
3342 911.173144 -0.011425 0.268813 0.000038
|
|||
|
3343 911.177172 -0.011416 0.268387 0.000038
|
|||
|
3344 911.190131 0.011386 0.267905 0.000038
|
|||
|
3345 911.201731 -0.011390 0.267402 0.000038
|
|||
|
3346 911.215620 0.011385 0.266988 0.000037
|
|||
|
3347 911.227444 -0.011373 0.266667 0.000037
|
|||
|
3348 911.227666 0.011463 0.266383 0.000037
|
|||
|
3349 911.241290 -0.011298 0.266060 0.000037
|
|||
|
3350 911.259050 0.011278 0.265658 0.000037
|
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|
3351 911.271331 -0.011274 0.265385 0.000037
|
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|
3352 911.283695 -0.011222 0.264944 0.000037
|
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|
3353 911.304229 0.011218 0.264496 0.000037
|
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|
3354 911.306394 0.011195 0.264170 0.000037
|
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|
3355 911.306817 -0.011185 0.266435 0.000037
|
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|
3356 911.306939 -0.028095 0.263486 0.000037
|
|||
|
3357 911.319343 -0.011187 0.263013 0.000037
|
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|
3358 911.327096 0.011171 0.262793 0.000037
|
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|
3359 911.327122 -0.013038 0.262159 0.000037
|
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|
3360 911.327962 0.011303 0.261951 0.000037
|
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|
3361 911.333508 -0.011198 0.261592 0.000037
|
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|
3362 911.345585 0.011193 0.261079 0.000037
|
|||
|
3363 911.348146 -0.011143 0.260574 0.000037
|
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|
3364 911.359502 0.011142 0.260280 0.000037
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|
3365 911.359762 -0.011609 0.259879 0.000036
|
|||
|
3366 911.372106 0.011162 0.259416 0.000036
|
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|
3367 911.381332 -0.011117 0.259024 0.000036
|
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|
3368 911.381735 -0.011072 0.258258 0.000036
|
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|
3369 911.382133 0.011135 0.257908 0.000036
|
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|
3370 911.382457 0.012310 0.257532 0.000036
|
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|
3371 911.390301 -0.011063 0.257110 0.000036
|
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|
3372 911.403812 -0.011043 0.256629 0.000036
|
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|
3373 911.422010 -0.011042 0.256130 0.000036
|
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|
3374 911.442484 -0.011041 0.255640 0.000036
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|
3375 911.457080 -0.010995 0.255134 0.000036
|
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|
3376 911.460876 -0.010955 0.254661 0.000036
|
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|
3377 911.463697 0.010939 0.254266 0.000036
|
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|
3378 911.464792 -0.011156 0.253982 0.000036
|
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|
3379 911.465151 0.011696 0.253756 0.000036
|
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|
3380 911.465541 0.011807 0.253276 0.000036
|
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|
3381 911.480051 0.010918 0.252855 0.000035
|
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|
3382 911.482039 0.010952 0.252400 0.000035
|
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|
3383 911.482208 -0.010906 0.251808 0.000035
|
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|
3384 911.487329 0.010901 0.251267 0.000035
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|
3385 911.503351 0.010863 0.250847 0.000035
|
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|
3386 911.515449 -0.010880 0.250326 0.000035
|
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|
3387 911.515803 -0.010860 0.250165 0.000035
|
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|
3388 911.522343 -0.010803 0.249893 0.000035
|
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|
3389 911.539721 0.010755 0.249394 0.000035
|
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|
3390 911.556762 0.010787 0.248776 0.000035
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|
3391 911.564198 -0.010737 0.248404 0.000035
|
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|
3392 911.565039 0.010734 0.248115 0.000035
|
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|
3393 911.575203 0.010668 0.247793 0.000035
|
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|
3394 911.575351 -0.011538 0.247284 0.000035
|
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|
3395 911.578183 -0.010640 0.246851 0.000035
|
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|
3396 911.578674 0.011209 0.246251 0.000035
|
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|
3397 911.579128 0.010630 0.245951 0.000034
|
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|
3398 911.579471 0.010629 0.245475 0.000034
|
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|
3399 911.583781 0.010604 0.244971 0.000034
|
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|
3400 911.584706 0.010569 0.244595 0.000034
|
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|
3401 911.599435 -0.010549 0.244089 0.000034
|
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|
3402 911.599586 -0.010526 0.243841 0.000034
|
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|
3403 911.601655 0.010558 0.243541 0.000034
|
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|
3404 911.605766 -0.010484 0.243143 0.000034
|
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|
3405 911.622944 -0.010481 0.242741 0.000034
|
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|
3406 911.624976 -0.010401 0.242081 0.000034
|
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|
3407 911.645442 -0.010387 0.241671 0.000034
|
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|
3408 911.667683 -0.010381 0.241235 0.000034
|
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|
3409 911.671631 -0.010384 0.240739 0.000034
|
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|
3410 911.680544 -0.010378 0.240261 0.000034
|
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|
3411 911.691238 0.010348 0.239993 0.000034
|
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|
3412 911.704060 -0.010338 0.239454 0.000034
|
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|
3413 911.716730 0.010330 0.239127 0.000034
|
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|
3414 911.729479 0.010237 0.238739 0.000033
|
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|
3415 911.746354 -0.010234 0.238213 0.000033
|
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|
3416 911.747799 0.010201 0.237793 0.000033
|
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|
3417 911.764310 -0.010134 0.237329 0.000033
|
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|
3418 911.777507 0.010174 0.236885 0.000033
|
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|
3419 911.787725 -0.010125 0.236405 0.000033
|
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|
3420 911.791321 0.010103 0.235780 0.000033
|
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|
3421 911.801971 0.010086 0.235457 0.000033
|
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|
3422 911.808298 -0.010083 0.235191 0.000033
|
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|
3423 911.811496 0.010074 0.234747 0.000033
|
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|
3424 911.812574 -0.010072 0.234463 0.000033
|
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|
3425 911.819454 0.010071 0.234236 0.000033
|
|||
|
3426 911.822559 -0.010060 0.233797 0.000033
|
|||
|
3427 911.824933 0.010051 0.233325 0.000033
|
|||
|
3428 911.829512 0.010018 0.232878 0.000033
|
|||
|
3429 911.833265 -0.010004 0.232470 0.000033
|
|||
|
3430 911.836660 -0.009995 0.232170 0.000033
|
|||
|
3431 911.836945 0.009986 0.231746 0.000033
|
|||
|
3432 911.837385 0.009972 0.231270 0.000032
|
|||
|
3433 911.838214 0.009972 0.230641 0.000032
|
|||
|
3434 911.843218 -0.009942 0.230219 0.000032
|
|||
|
3435 911.855720 -0.009891 0.229850 0.000032
|
|||
|
3436 911.857205 -0.009880 0.229355 0.000032
|
|||
|
3437 911.858205 0.009840 0.228950 0.000032
|
|||
|
3438 911.875616 -0.009839 0.228522 0.000032
|
|||
|
3439 911.881697 0.009870 0.228181 0.000032
|
|||
|
3440 911.885369 0.010767 0.227566 0.000032
|
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|
3441 911.887339 -0.009809 0.227116 0.000032
|
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|
3442 911.889843 -0.009781 0.226896 0.000032
|
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|
3443 911.890414 -0.011381 0.226496 0.000032
|
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|
3444 911.890547 -0.009779 0.226166 0.000032
|
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|
3445 911.891198 0.009750 0.225822 0.000032
|
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|
3446 911.891988 0.009826 0.225341 0.000032
|
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|
3447 911.897779 -0.009748 0.225221 0.000032
|
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|
3448 911.901890 -0.009711 0.224765 0.000032
|
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|
3449 911.909020 -0.009746 0.224477 0.000031
|
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|
3450 911.915633 0.009707 0.224072 0.000031
|
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|
3451 911.920177 -0.009678 0.223619 0.000031
|
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|
3452 911.926337 0.009560 0.223227 0.000031
|
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|
3453 911.931701 -0.009553 0.222943 0.000031
|
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|
3454 911.932723 0.009530 0.222573 0.000031
|
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|
3455 911.933180 -0.009590 0.222090 0.000031
|
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|
3456 911.933420 0.009524 0.222028 0.000031
|
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|
3457 911.933450 0.010268 0.221610 0.000031
|
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|
3458 911.933707 0.009513 0.220673 0.000031
|
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|
3459 911.935046 -0.009506 0.220391 0.000031
|
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|
3460 911.948050 0.009500 0.220047 0.000031
|
|||
|
3461 911.950065 -0.009484 0.219724 0.000031
|
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|
3462 911.953734 0.009481 0.219300 0.000031
|
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|
3463 911.954035 -0.009452 0.219027 0.000031
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|
3464 911.954770 0.009451 0.218625 0.000031
|
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|
3465 911.960695 -0.009450 0.218205 0.000031
|
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|
3466 911.962468 -0.009448 0.217830 0.000031
|
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|
3467 911.964303 -0.009707 0.217469 0.000031
|
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|
3468 911.970630 -0.009443 0.217045 0.000030
|
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|
3469 911.971550 0.009442 0.216780 0.000030
|
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|
3470 911.974668 0.009440 0.216558 0.000030
|
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|
3471 911.976749 -0.009582 0.216224 0.000030
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|
3472 911.986665 0.009430 0.215761 0.000030
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|
3473 911.989809 -0.009400 0.215212 0.000030
|
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|
3474 911.994951 0.009348 0.214824 0.000030
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|
3475 912.007087 -0.009335 0.214403 0.000030
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|
3476 912.014703 0.009327 0.214000 0.000030
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3477 912.014825 -0.009302 0.213681 0.000030
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|
3478 912.016783 -0.009292 0.213277 0.000030
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3479 912.018318 0.009278 0.212936 0.000030
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|
3480 912.022081 0.009264 0.212636 0.000030
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|
3481 912.022695 0.009917 0.212210 0.000030
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|
3482 912.035386 -0.009263 0.212006 0.000030
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|
3483 912.035400 0.009461 0.211599 0.000030
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|
3484 912.042023 0.009262 0.211237 0.000030
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|
3485 912.045775 -0.009259 0.210788 0.000030
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|
3486 912.047173 0.009309 0.210629 0.000030
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|
3487 912.052144 0.009243 0.210326 0.000029
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3488 912.055000 0.009233 0.209949 0.000029
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|
3489 912.063778 -0.009230 0.209665 0.000029
|
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|
3490 912.068911 0.009211 0.209227 0.000029
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|
3491 912.069432 0.009184 0.209034 0.000029
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|
3492 912.070580 -0.009235 0.208695 0.000029
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|
3493 912.072298 -0.009167 0.208231 0.000029
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|
3494 912.073151 -0.009137 0.207879 0.000029
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|
3495 912.078192 0.009130 0.207547 0.000029
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|
3496 912.080447 0.009099 0.207067 0.000029
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|
3497 912.087715 0.009071 0.206799 0.000029
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|
3498 912.087729 0.009646 0.206395 0.000029
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|
3499 912.096754 0.009070 0.205991 0.000029
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3500 912.096959 0.009066 0.205546 0.000029
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3501 912.099896 0.009012 0.205316 0.000029
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3502 912.103280 -0.008997 0.204856 0.000029
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|
3503 912.111341 -0.008980 0.204423 0.000029
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3504 912.115161 -0.008979 0.204028 0.000029
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|
3505 912.121593 0.008960 0.203696 0.000029
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|
3506 912.142182 -0.008959 0.203408 0.000029
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|
3507 912.144094 -0.008927 0.203031 0.000028
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|
3508 912.152049 0.008915 0.202653 0.000028
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|
3509 912.155051 -0.008906 0.202458 0.000028
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|
3510 912.161146 0.008905 0.202077 0.000028
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|
3511 912.163549 0.008854 0.201694 0.000028
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|
3512 912.163651 0.008850 0.201533 0.000028
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|
3513 912.163815 -0.009482 0.201158 0.000028
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|
3514 912.165054 -0.008830 0.201207 0.000028
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|
3515 912.165272 0.010979 0.200565 0.000028
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|
3516 912.170109 -0.008820 0.200204 0.000028
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|
3517 912.183734 -0.008812 0.199827 0.000028
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|
3518 912.186674 0.008791 0.199439 0.000028
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|
3519 912.187064 0.008787 0.199259 0.000028
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|
3520 912.187252 -0.008750 0.198867 0.000028
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|
3521 912.201886 0.008717 0.198402 0.000028
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|
3522 912.201990 -0.008699 0.198058 0.000028
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|
3523 912.206889 -0.008697 0.197640 0.000028
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|
3524 912.211727 0.008682 0.197316 0.000028
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|
3525 912.212652 0.008680 0.196914 0.000028
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|
3526 912.212876 -0.008662 0.197565 0.000028
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|
3527 912.212914 -0.015372 0.196334 0.000028
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|
3528 912.216135 -0.008660 0.196046 0.000027
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|
3529 912.217900 -0.008627 0.195740 0.000027
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|
3530 912.221111 -0.008616 0.195408 0.000027
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|
3531 912.225172 -0.008606 0.195084 0.000027
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|
3532 912.226322 -0.008605 0.194613 0.000027
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|
3533 912.229020 -0.008566 0.194300 0.000027
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|
3534 912.234197 0.008548 0.193891 0.000027
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|
3535 912.236526 -0.008543 0.193526 0.000027
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|
3536 912.240526 0.008487 0.193136 0.000027
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|
3537 912.246555 -0.008487 0.192747 0.000027
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|
3538 912.249673 -0.008405 0.192353 0.000027
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|
3539 912.264436 0.008382 0.192006 0.000027
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|
3540 912.268898 0.008378 0.191663 0.000027
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|
3541 912.270002 -0.008370 0.191331 0.000027
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|
3542 912.270714 0.008351 0.190857 0.000027
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|
3543 912.273316 -0.008324 0.190455 0.000027
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|
3544 912.277745 -0.008318 0.190134 0.000027
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|
3545 912.278662 0.008312 0.189892 0.000027
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|
3546 912.278859 0.008828 0.189451 0.000027
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|
3547 912.286527 -0.008283 0.189041 0.000027
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|
3548 912.288414 0.008274 0.188723 0.000026
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|
3549 912.288474 0.008278 0.188351 0.000026
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3550 912.296663 0.008265 0.188156 0.000026
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|
3551 912.298186 0.008233 0.187848 0.000026
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|
3552 912.301045 -0.008226 0.187544 0.000026
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|
3553 912.302556 -0.008203 0.187064 0.000026
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|
3554 912.303911 0.008169 0.186748 0.000026
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|
3555 912.305021 0.008155 0.186436 0.000026
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|
3556 912.305112 -0.008200 0.186105 0.000026
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|
3557 912.306783 -0.008091 0.185891 0.000026
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|
3558 912.306800 -0.009957 0.185357 0.000026
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|
3559 912.310793 0.008075 0.185061 0.000026
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|
3560 912.312066 0.008071 0.184720 0.000026
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3561 912.318697 0.008054 0.184331 0.000026
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|
3562 912.320646 -0.008026 0.184157 0.000026
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3563 912.320857 0.008409 0.183735 0.000026
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3564 912.324720 0.008025 0.183351 0.000026
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|
3565 912.327140 0.008024 0.183077 0.000026
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3566 912.327313 -0.008045 0.182725 0.000026
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3567 912.333198 0.008028 0.182389 0.000026
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3568 912.336483 0.008012 0.182106 0.000026
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|
3569 912.337560 -0.007986 0.181810 0.000025
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3570 912.344387 -0.007976 0.181593 0.000025
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3571 912.344779 0.007962 0.181714 0.000025
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3572 912.344796 0.010444 0.181077 0.000025
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3573 912.345159 -0.009231 0.180652 0.000025
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3574 912.345858 -0.008069 0.180414 0.000025
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3575 912.347746 0.007942 0.180086 0.000025
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3576 912.348912 -0.008023 0.179904 0.000025
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3577 912.349015 0.008802 0.179399 0.000025
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3578 912.350267 0.007949 0.178998 0.000025
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3579 912.350531 -0.007931 0.178619 0.000025
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3580 912.350615 -0.008763 0.178201 0.000025
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3581 912.351873 -0.007931 0.177909 0.000025
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3582 912.352096 0.008063 0.177971 0.000025
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3583 912.352111 0.009763 0.177448 0.000025
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3584 912.356720 -0.007914 0.177212 0.000025
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3585 912.358117 -0.007881 0.176874 0.000025
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3586 912.359525 0.008071 0.176553 0.000025
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3588 912.369082 0.007870 0.175992 0.000025
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3589 912.369278 0.007861 0.175636 0.000025
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3590 912.369300 0.009024 0.175174 0.000025
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3591 912.374619 0.007854 0.174794 0.000025
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3592 912.375668 -0.007844 0.174419 0.000024
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3593 912.378173 -0.007838 0.174145 0.000024
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3594 912.379222 -0.007799 0.173941 0.000024
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3595 912.379386 0.007870 0.173594 0.000024
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3596 912.382294 0.007768 0.173233 0.000024
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7465 913.160040 0.000015 0.000349 0.000000
|
|||
|
7466 913.160040 -0.000015 0.000348 0.000000
|
|||
|
7467 913.160040 -0.000015 0.000348 0.000000
|
|||
|
7468 913.160040 -0.000015 0.000347 0.000000
|
|||
|
7469 913.160040 0.000015 0.000347 0.000000
|
|||
|
7470 913.160040 0.000015 0.000347 0.000000
|
|||
|
7471 913.160040 0.000015 0.000347 0.000000
|
|||
|
7472 913.160040 -0.000015 0.000347 0.000000
|
|||
|
7473 913.160040 0.000017 0.000348 0.000000
|
|||
|
7474 913.160040 0.000015 0.000347 0.000000
|
|||
|
7475 913.160040 -0.000015 0.000346 0.000000
|
|||
|
7476 913.160040 0.000015 0.000346 0.000000
|
|||
|
7477 913.160040 -0.000015 0.000345 0.000000
|
|||
|
7478 913.160040 -0.000015 0.000345 0.000000
|
|||
|
7479 913.160040 -0.000017 0.000345 0.000000
|
|||
|
7480 913.160040 0.000015 0.000344 0.000000
|
|||
|
7481 913.160040 0.000015 0.000344 0.000000
|
|||
|
7482 913.160040 -0.000015 0.000343 0.000000
|
|||
|
7483 913.160040 0.000015 0.000343 0.000000
|
|||
|
7484 913.160040 0.000015 0.000342 0.000000
|
|||
|
7485 913.160040 -0.000015 0.000342 0.000000
|
|||
|
7486 913.160040 0.000015 0.000341 0.000000
|
|||
|
7487 913.160040 0.000015 0.000341 0.000000
|
|||
|
7488 913.160040 -0.000014 0.000340 0.000000
|
|||
|
7489 913.160040 -0.000014 0.000340 0.000000
|
|||
|
7490 913.160040 0.000014 0.000339 0.000000
|
|||
|
7491 913.160040 0.000014 0.000339 0.000000
|
|||
|
7492 913.160040 0.000015 0.000338 0.000000
|
|||
|
7493 913.160040 -0.000015 0.000338 0.000000
|
|||
|
7494 913.160040 -0.000014 0.000337 0.000000
|
|||
|
7495 913.160040 0.000014 0.000337 0.000000
|
|||
|
7496 913.160040 -0.000014 0.000336 0.000000
|
|||
|
7497 913.160040 0.000014 0.000336 0.000000
|
|||
|
7498 913.160040 0.000014 0.000335 0.000000
|
|||
|
7499 913.160040 -0.000014 0.000334 0.000000
|
|||
|
7500 913.160040 0.000014 0.000334 0.000000
|
|||
|
7501 913.160040 0.000014 0.000333 0.000000
|
|||
|
7502 913.160040 -0.000014 0.000333 0.000000
|
|||
|
7503 913.160040 -0.000014 0.000333 0.000000
|
|||
|
7504 913.160040 -0.000015 0.000333 0.000000
|
|||
|
7505 913.160040 -0.000015 0.000332 0.000000
|
|||
|
7506 913.160040 0.000014 0.000332 0.000000
|
|||
|
7507 913.160040 -0.000014 0.000332 0.000000
|
|||
|
7508 913.160040 -0.000014 0.000331 0.000000
|
|||
|
7509 913.160040 -0.000014 0.000331 0.000000
|
|||
|
7510 913.160040 0.000014 0.000330 0.000000
|
|||
|
7511 913.160040 -0.000014 0.000330 0.000000
|
|||
|
7512 913.160040 -0.000014 0.000329 0.000000
|
|||
|
7513 913.160040 -0.000014 0.000328 0.000000
|
|||
|
7514 913.160040 0.000014 0.000328 0.000000
|
|||
|
7515 913.160040 -0.000014 0.000328 0.000000
|
|||
|
7516 913.160040 0.000014 0.000327 0.000000
|
|||
|
7517 913.160040 0.000014 0.000326 0.000000
|
|||
|
7518 913.160040 0.000015 0.000326 0.000000
|
|||
|
7519 913.160040 0.000014 0.000326 0.000000
|
|||
|
7520 913.160040 0.000014 0.000325 0.000000
|
|||
|
7521 913.160040 -0.000014 0.000325 0.000000
|
|||
|
7522 913.160040 -0.000014 0.000324 0.000000
|
|||
|
7523 913.160040 -0.000014 0.000324 0.000000
|
|||
|
7524 913.160040 0.000014 0.000324 0.000000
|
|||
|
7525 913.160040 -0.000014 0.000323 0.000000
|
|||
|
7526 913.160040 0.000014 0.000323 0.000000
|
|||
|
7527 913.160040 -0.000014 0.000322 0.000000
|
|||
|
7528 913.160040 -0.000014 0.000322 0.000000
|
|||
|
7529 913.160040 0.000014 0.000321 0.000000
|
|||
|
7530 913.160040 0.000014 0.000321 0.000000
|
|||
|
7531 913.160040 -0.000014 0.000320 0.000000
|
|||
|
7532 913.160040 -0.000014 0.000320 0.000000
|
|||
|
7533 913.160041 -0.000014 0.000319 0.000000
|
|||
|
7534 913.160041 0.000014 0.000319 0.000000
|
|||
|
7535 913.160041 -0.000014 0.000318 0.000000
|
|||
|
7536 913.160041 0.000014 0.000318 0.000000
|
|||
|
7537 913.160041 0.000014 0.000317 0.000000
|
|||
|
7538 913.160041 0.000014 0.000317 0.000000
|
|||
|
7539 913.160041 0.000014 0.000316 0.000000
|
|||
|
7540 913.160041 -0.000014 0.000316 0.000000
|
|||
|
7541 913.160041 0.000013 0.000315 0.000000
|
|||
|
7542 913.160041 -0.000013 0.000315 0.000000
|
|||
|
7543 913.160041 -0.000014 0.000314 0.000000
|
|||
|
7544 913.160041 0.000013 0.000314 0.000000
|
|||
|
7545 913.160041 0.000013 0.000313 0.000000
|
|||
|
7546 913.160041 0.000013 0.000313 0.000000
|
|||
|
7547 913.160041 0.000013 0.000313 0.000000
|
|||
|
7548 913.160041 0.000013 0.000312 0.000000
|
|||
|
7549 913.160041 -0.000013 0.000312 0.000000
|
|||
|
7550 913.160041 0.000013 0.000311 0.000000
|
|||
|
7551 913.160041 -0.000013 0.000311 0.000000
|
|||
|
7552 913.160041 0.000013 0.000310 0.000000
|
|||
|
7553 913.160041 0.000013 0.000311 0.000000
|
|||
|
7554 913.160041 -0.000016 0.000311 0.000000
|
|||
|
7555 913.160041 0.000015 0.000310 0.000000
|
|||
|
7556 913.160041 -0.000013 0.000310 0.000000
|
|||
|
7557 913.160041 -0.000013 0.000309 0.000000
|
|||
|
7558 913.160041 -0.000014 0.000309 0.000000
|
|||
|
7559 913.160041 0.000013 0.000309 0.000000
|
|||
|
7560 913.160041 0.000013 0.000308 0.000000
|
|||
|
7561 913.160041 0.000013 0.000308 0.000000
|
|||
|
7562 913.160041 -0.000013 0.000307 0.000000
|
|||
|
7563 913.160041 -0.000014 0.000307 0.000000
|
|||
|
7564 913.160041 0.000013 0.000306 0.000000
|
|||
|
7565 913.160041 -0.000013 0.000306 0.000000
|
|||
|
7566 913.160041 0.000013 0.000305 0.000000
|
|||
|
7567 913.160041 -0.000013 0.000305 0.000000
|
|||
|
7568 913.160041 -0.000013 0.000306 0.000000
|
|||
|
7569 913.160041 -0.000024 0.000304 0.000000
|
|||
|
7570 913.160041 0.000013 0.000304 0.000000
|
|||
|
7571 913.160041 -0.000013 0.000303 0.000000
|
|||
|
7572 913.160041 0.000013 0.000303 0.000000
|
|||
|
7573 913.160041 -0.000013 0.000302 0.000000
|
|||
|
7574 913.160041 0.000013 0.000302 0.000000
|
|||
|
7575 913.160041 0.000013 0.000301 0.000000
|
|||
|
7576 913.160041 0.000013 0.000301 0.000000
|
|||
|
7577 913.160041 0.000013 0.000300 0.000000
|
|||
|
7578 913.160041 0.000013 0.000300 0.000000
|
|||
|
7579 913.160041 0.000013 0.000299 0.000000
|
|||
|
7580 913.160041 0.000013 0.000299 0.000000
|
|||
|
7581 913.160041 0.000013 0.000298 0.000000
|
|||
|
7582 913.160041 0.000013 0.000298 0.000000
|
|||
|
7583 913.160041 0.000013 0.000297 0.000000
|
|||
|
7584 913.160041 -0.000013 0.000297 0.000000
|
|||
|
7585 913.160041 0.000013 0.000296 0.000000
|
|||
|
7586 913.160041 0.000013 0.000296 0.000000
|
|||
|
7587 913.160041 -0.000013 0.000295 0.000000
|
|||
|
7588 913.160041 0.000013 0.000295 0.000000
|
|||
|
7589 913.160041 0.000013 0.000294 0.000000
|
|||
|
7590 913.160041 0.000013 0.000294 0.000000
|
|||
|
7591 913.160041 0.000013 0.000294 0.000000
|
|||
|
7592 913.160041 0.000014 0.000293 0.000000
|
|||
|
7593 913.160041 -0.000012 0.000293 0.000000
|
|||
|
7594 913.160041 0.000012 0.000292 0.000000
|
|||
|
7595 913.160041 0.000012 0.000292 0.000000
|
|||
|
7596 913.160041 0.000012 0.000291 0.000000
|
|||
|
7597 913.160041 0.000012 0.000291 0.000000
|
|||
|
7598 913.160041 0.000012 0.000291 0.000000
|
|||
|
7599 913.160041 -0.000012 0.000290 0.000000
|
|||
|
7600 913.160041 0.000012 0.000290 0.000000
|
|||
|
7601 913.160041 0.000012 0.000289 0.000000
|
|||
|
7602 913.160041 -0.000012 0.000289 0.000000
|
|||
|
7603 913.160041 0.000012 0.000288 0.000000
|
|||
|
7604 913.160041 -0.000012 0.000288 0.000000
|
|||
|
7605 913.160041 -0.000013 0.000288 0.000000
|
|||
|
7606 913.160041 -0.000012 0.000287 0.000000
|
|||
|
7607 913.160041 0.000012 0.000287 0.000000
|
|||
|
7608 913.160041 -0.000012 0.000286 0.000000
|
|||
|
7609 913.160041 -0.000012 0.000286 0.000000
|
|||
|
7610 913.160041 0.000012 0.000286 0.000000
|
|||
|
7611 913.160041 -0.000013 0.000286 0.000000
|
|||
|
7612 913.160041 -0.000013 0.000286 0.000000
|
|||
|
7613 913.160041 0.000012 0.000286 0.000000
|
|||
|
7614 913.160041 -0.000012 0.000285 0.000000
|
|||
|
7615 913.160041 0.000012 0.000285 0.000000
|
|||
|
7616 913.160041 0.000012 0.000285 0.000000
|
|||
|
7617 913.160041 0.000012 0.000284 0.000000
|
|||
|
7618 913.160041 0.000012 0.000284 0.000000
|
|||
|
7619 913.160041 0.000012 0.000284 0.000000
|
|||
|
7620 913.160041 0.000013 0.000284 0.000000
|
|||
|
7621 913.160041 -0.000015 0.000284 0.000000
|
|||
|
7622 913.160041 -0.000018 0.000283 0.000000
|
|||
|
7623 913.160041 0.000014 0.000283 0.000000
|
|||
|
7624 913.160041 -0.000012 0.000282 0.000000
|
|||
|
7625 913.160041 -0.000012 0.000282 0.000000
|
|||
|
7626 913.160041 -0.000012 0.000281 0.000000
|
|||
|
7627 913.160041 0.000012 0.000281 0.000000
|
|||
|
7628 913.160041 -0.000012 0.000280 0.000000
|
|||
|
7629 913.160041 -0.000012 0.000280 0.000000
|
|||
|
7630 913.160041 0.000012 0.000279 0.000000
|
|||
|
7631 913.160041 0.000012 0.000279 0.000000
|
|||
|
7632 913.160041 0.000012 0.000278 0.000000
|
|||
|
7633 913.160041 0.000012 0.000278 0.000000
|
|||
|
7634 913.160041 -0.000012 0.000277 0.000000
|
|||
|
7635 913.160041 0.000012 0.000277 0.000000
|
|||
|
7636 913.160041 0.000012 0.000277 0.000000
|
|||
|
7637 913.160041 0.000012 0.000276 0.000000
|
|||
|
7638 913.160041 0.000014 0.000276 0.000000
|
|||
|
7639 913.160041 0.000012 0.000275 0.000000
|
|||
|
7640 913.160041 -0.000012 0.000275 0.000000
|
|||
|
7641 913.160041 0.000012 0.000274 0.000000
|
|||
|
7642 913.160041 0.000012 0.000274 0.000000
|
|||
|
7643 913.160041 0.000012 0.000273 0.000000
|
|||
|
7644 913.160041 -0.000012 0.000273 0.000000
|
|||
|
7645 913.160041 0.000011 0.000272 0.000000
|
|||
|
7646 913.160041 0.000011 0.000272 0.000000
|
|||
|
7647 913.160041 -0.000011 0.000271 0.000000
|
|||
|
7648 913.160041 -0.000011 0.000271 0.000000
|
|||
|
7649 913.160041 -0.000011 0.000271 0.000000
|
|||
|
7650 913.160041 0.000012 0.000270 0.000000
|
|||
|
7651 913.160041 -0.000011 0.000270 0.000000
|
|||
|
7652 913.160041 0.000011 0.000269 0.000000
|
|||
|
7653 913.160041 -0.000011 0.000269 0.000000
|
|||
|
7654 913.160041 -0.000011 0.000269 0.000000
|
|||
|
7655 913.160041 0.000011 0.000268 0.000000
|
|||
|
7656 913.160041 0.000011 0.000268 0.000000
|
|||
|
7657 913.160041 -0.000011 0.000267 0.000000
|
|||
|
7658 913.160041 -0.000011 0.000267 0.000000
|
|||
|
7659 913.160041 0.000011 0.000266 0.000000
|
|||
|
7660 913.160041 -0.000011 0.000266 0.000000
|
|||
|
7661 913.160041 -0.000011 0.000266 0.000000
|
|||
|
7662 913.160041 0.000011 0.000265 0.000000
|
|||
|
7663 913.160041 0.000011 0.000265 0.000000
|
|||
|
7664 913.160041 -0.000011 0.000265 0.000000
|
|||
|
7665 913.160041 0.000011 0.000264 0.000000
|
|||
|
7666 913.160041 -0.000011 0.000263 0.000000
|
|||
|
7667 913.160041 -0.000011 0.000263 0.000000
|
|||
|
7668 913.160041 0.000011 0.000262 0.000000
|
|||
|
7669 913.160041 -0.000011 0.000262 0.000000
|
|||
|
7670 913.160041 0.000011 0.000262 0.000000
|
|||
|
7671 913.160042 -0.000011 0.000261 0.000000
|
|||
|
7672 913.160042 0.000011 0.000261 0.000000
|
|||
|
7673 913.160042 0.000011 0.000260 0.000000
|
|||
|
7674 913.160042 -0.000011 0.000260 0.000000
|
|||
|
7675 913.160042 -0.000011 0.000260 0.000000
|
|||
|
7676 913.160042 0.000011 0.000259 0.000000
|
|||
|
7677 913.160042 0.000011 0.000259 0.000000
|
|||
|
7678 913.160042 -0.000011 0.000258 0.000000
|
|||
|
7679 913.160042 -0.000011 0.000258 0.000000
|
|||
|
7680 913.160042 -0.000011 0.000258 0.000000
|
|||
|
7681 913.160042 0.000011 0.000257 0.000000
|
|||
|
7682 913.160042 0.000011 0.000257 0.000000
|
|||
|
7683 913.160042 0.000011 0.000256 0.000000
|
|||
|
7684 913.160042 0.000011 0.000256 0.000000
|
|||
|
7685 913.160042 -0.000011 0.000256 0.000000
|
|||
|
7686 913.160042 -0.000011 0.000256 0.000000
|
|||
|
7687 913.160042 0.000011 0.000258 0.000000
|
|||
|
7688 913.160042 -0.000025 0.000256 0.000000
|
|||
|
7689 913.160042 -0.000011 0.000255 0.000000
|
|||
|
7690 913.160042 0.000011 0.000255 0.000000
|
|||
|
7691 913.160042 0.000011 0.000255 0.000000
|
|||
|
7692 913.160042 -0.000011 0.000254 0.000000
|
|||
|
7693 913.160042 0.000011 0.000254 0.000000
|
|||
|
7694 913.160042 0.000011 0.000253 0.000000
|
|||
|
7695 913.160042 0.000011 0.000253 0.000000
|
|||
|
7696 913.160042 0.000011 0.000253 0.000000
|
|||
|
7697 913.160042 0.000011 0.000252 0.000000
|
|||
|
7698 913.160042 -0.000011 0.000252 0.000000
|
|||
|
7699 913.160042 -0.000010 0.000251 0.000000
|
|||
|
7700 913.160042 0.000010 0.000251 0.000000
|
|||
|
7701 913.160042 -0.000010 0.000251 0.000000
|
|||
|
7702 913.160042 0.000010 0.000251 0.000000
|
|||
|
7703 913.160042 -0.000010 0.000250 0.000000
|
|||
|
7704 913.160042 -0.000010 0.000250 0.000000
|
|||
|
7705 913.160042 0.000010 0.000249 0.000000
|
|||
|
7706 913.160042 -0.000010 0.000249 0.000000
|
|||
|
7707 913.160042 -0.000010 0.000249 0.000000
|
|||
|
7708 913.160042 0.000010 0.000248 0.000000
|
|||
|
7709 913.160042 0.000010 0.000248 0.000000
|
|||
|
7710 913.160042 -0.000010 0.000248 0.000000
|
|||
|
7711 913.160042 0.000010 0.000247 0.000000
|
|||
|
7712 913.160042 -0.000010 0.000247 0.000000
|
|||
|
7713 913.160042 0.000010 0.000248 0.000000
|
|||
|
7714 913.160042 0.000011 0.000247 0.000000
|
|||
|
7715 913.160042 0.000010 0.000246 0.000000
|
|||
|
7716 913.160042 -0.000010 0.000246 0.000000
|
|||
|
7717 913.160042 -0.000010 0.000246 0.000000
|
|||
|
7718 913.160042 0.000010 0.000245 0.000000
|
|||
|
7719 913.160042 0.000010 0.000245 0.000000
|
|||
|
7720 913.160042 -0.000010 0.000245 0.000000
|
|||
|
7721 913.160042 0.000011 0.000244 0.000000
|
|||
|
7722 913.160042 -0.000010 0.000244 0.000000
|
|||
|
7723 913.160042 0.000010 0.000244 0.000000
|
|||
|
7724 913.160042 0.000010 0.000243 0.000000
|
|||
|
7725 913.160042 -0.000010 0.000243 0.000000
|
|||
|
7726 913.160042 0.000010 0.000243 0.000000
|
|||
|
|
|||
|
Number of molecular orbitals : 109
|
|||
|
Number of pi orbitals : 29
|
|||
|
Number of occupied pi orbitals : 3
|
|||
|
Number of virtual pi orbitals : 26
|
|||
|
Number of sigma orbitals : 80
|
|||
|
Number of occupied sigma orbitals : 12
|
|||
|
Number of virtual sigma orbitals : 62
|
|||
|
|
|||
|
All MOs before the localization Average : 14.920920039; Median : 13.5448744679; Variance : 48.4003187222; Standard deviation : 6.95703375888
|
|||
|
All MOs after the localization Average : 3.78820565693; Median : 2.9426103771; Variance : 6.1583604684; Standard deviation : 2.48160441416
|
|||
|
|
|||
|
Distribution of the spatial extent, before localization / sorting before localization / after localization / sorting after localization =
|
|||
|
|
|||
|
|
|||
|
|
|||
|
-- 1 -- -- 2 -- -- 3 -- -- 4 --
|
|||
|
1 0.0704169 0.0704169 0.0695361 0.0695361
|
|||
|
2 4.73959 0.113747 0.0956472 0.0956307
|
|||
|
3 4.73939 4.73939 0.099482 0.0956472
|
|||
|
4 0.113747 4.73959 0.0984732 0.0984732
|
|||
|
5 5.18472 5.17692 0.0999593 0.099482
|
|||
|
6 5.17692 5.18472 0.0956307 0.0999593
|
|||
|
7 7.81549 6.22576 1.80845 1.46111
|
|||
|
8 10.8997 6.35799 2.07525 1.46132
|
|||
|
9 11.9148 7.4455 2.03334 1.46374
|
|||
|
10 13.889 7.81549 2.03334 1.48712
|
|||
|
11 15.4734 8.2979 2.26754 1.48744
|
|||
|
12 12.4876 8.85401 2.18353 1.57877
|
|||
|
13 17.2135 9.28523 2.26755 1.58257
|
|||
|
14 11.86 9.54327 2.2026 1.6044
|
|||
|
15 10.4646 9.7488 2.25627 1.60647
|
|||
|
16 8.85401 9.77915 2.07526 1.6067
|
|||
|
17 10.093 9.94433 1.80846 1.60757
|
|||
|
18 10.3587 10.0315 2.2026 1.61382
|
|||
|
19 9.28523 10.092 7.10439 1.61439
|
|||
|
20 10.5196 10.093 7.10443 1.6395
|
|||
|
21 10.2118 10.112 5.72467 1.64045
|
|||
|
22 10.092 10.1708 3.28026 1.80845
|
|||
|
23 10.112 10.2118 3.25553 1.80846
|
|||
|
24 9.7488 10.2661 3.61334 1.83933
|
|||
|
25 6.22576 10.3587 1.84066 1.84066
|
|||
|
26 6.35799 10.3606 8.56688 1.84067
|
|||
|
27 9.94433 10.4456 8.56688 1.84264
|
|||
|
28 7.4455 10.4646 5.29251 1.84265
|
|||
|
29 10.3606 10.5196 4.69722 2.03334
|
|||
|
30 13.403 10.5467 2.31333 2.03334
|
|||
|
31 16.3602 10.5721 3.49522 2.07525
|
|||
|
32 14.274 10.7245 8.65193 2.07526
|
|||
|
33 10.2661 10.8997 3.6132 2.11016
|
|||
|
34 16.3644 10.9621 3.25543 2.1103
|
|||
|
35 13.595 11.2195 3.49518 2.14568
|
|||
|
36 10.1708 11.284 1.84067 2.14571
|
|||
|
37 10.9621 11.5386 4.92369 2.14706
|
|||
|
38 13.5449 11.86 3.28017 2.14765
|
|||
|
39 9.54327 11.9148 3.57397 2.15734
|
|||
|
40 12.2146 12.2146 4.69732 2.15763
|
|||
|
41 9.77915 12.3153 1.83933 2.16002
|
|||
|
42 13.5431 12.4876 8.80014 2.18353
|
|||
|
43 13.8525 12.5483 1.84265 2.2026
|
|||
|
44 13.3759 12.5745 1.84264 2.2026
|
|||
|
45 10.0315 12.8654 8.80017 2.25627
|
|||
|
46 12.5745 13.0644 3.57396 2.26754
|
|||
|
47 10.5721 13.3394 2.31331 2.26755
|
|||
|
48 8.2979 13.3759 2.14706 2.31331
|
|||
|
49 10.5467 13.403 2.15734 2.31333
|
|||
|
50 11.284 13.4162 1.46132 2.93267
|
|||
|
51 10.4456 13.457 6.89957 2.93272
|
|||
|
52 11.2195 13.4609 2.14765 2.93387
|
|||
|
53 12.8654 13.5379 7.37936 2.93397
|
|||
|
54 13.3394 13.5431 5.17541 2.94238
|
|||
|
55 12.5483 13.5449 6.80826 2.94261
|
|||
|
56 13.4609 13.595 2.94635 2.94635
|
|||
|
57 17.7729 13.8525 8.08873 2.94663
|
|||
|
58 15.7045 13.8847 6.74199 2.95901
|
|||
|
59 14.5939 13.889 7.34522 2.95906
|
|||
|
60 15.6739 14.274 2.94238 3.25543
|
|||
|
61 14.7866 14.5939 4.55743 3.25553
|
|||
|
62 18.3915 14.6746 6.74266 3.28017
|
|||
|
63 14.8344 14.7298 2.93387 3.28026
|
|||
|
64 12.3153 14.7866 2.93272 3.49518
|
|||
|
65 13.8847 14.8344 1.6395 3.49522
|
|||
|
66 13.457 15.1351 2.95901 3.57396
|
|||
|
67 13.4162 15.1865 2.93267 3.57397
|
|||
|
68 18.8683 15.4734 1.48744 3.6132
|
|||
|
69 10.7245 15.5681 1.64045 3.61334
|
|||
|
70 13.5379 15.6469 2.14571 4.06499
|
|||
|
71 16.2103 15.6739 2.14568 4.0653
|
|||
|
72 17.4709 15.7045 4.76822 4.44016
|
|||
|
73 13.0644 15.7808 7.38038 4.4403
|
|||
|
74 17.4758 16.2103 2.1103 4.55743
|
|||
|
75 15.6469 16.3602 4.4403 4.69722
|
|||
|
76 11.5386 16.3644 7.01202 4.69732
|
|||
|
77 15.5681 16.7799 6.89945 4.76807
|
|||
|
78 14.7298 17.0648 1.61439 4.76822
|
|||
|
79 14.6746 17.0721 2.15763 4.92369
|
|||
|
80 15.7808 17.2135 1.46374 5.17541
|
|||
|
81 16.7799 17.4709 7.87672 5.29251
|
|||
|
82 15.1351 17.4758 2.93397 5.72467
|
|||
|
83 17.5163 17.5163 1.46111 6.74199
|
|||
|
84 19.9905 17.7729 7.23792 6.74266
|
|||
|
85 17.0648 17.86 4.76807 6.80706
|
|||
|
86 19.824 17.9147 1.61382 6.80826
|
|||
|
87 15.1865 18.3915 4.44016 6.89945
|
|||
|
88 17.0721 18.8683 1.57877 6.89957
|
|||
|
89 19.3105 19.1633 2.94663 7.0117
|
|||
|
90 19.2425 19.2425 1.60757 7.01202
|
|||
|
91 19.3606 19.3105 1.6067 7.10439
|
|||
|
92 20.266 19.3606 1.60647 7.10443
|
|||
|
93 19.9435 19.824 4.06499 7.23792
|
|||
|
94 19.1633 19.9435 7.0117 7.23816
|
|||
|
95 21.9838 19.9905 1.48712 7.34522
|
|||
|
96 17.9147 20.266 6.80706 7.37936
|
|||
|
97 22.8126 21.8501 8.08909 7.38038
|
|||
|
98 17.86 21.9838 1.6044 7.873
|
|||
|
99 21.8501 22.8126 4.0653 7.87672
|
|||
|
100 28.7849 24.851 2.95906 8.01475
|
|||
|
101 30.2917 27.8092 2.94261 8.02479
|
|||
|
102 35.2164 28.7849 7.23816 8.02557
|
|||
|
103 34.7662 29.2587 8.02557 8.08873
|
|||
|
104 24.851 30.2917 8.01475 8.08909
|
|||
|
105 33.9286 33.9286 2.11016 8.56688
|
|||
|
106 34.2067 34.2067 1.58257 8.56688
|
|||
|
107 38.7818 34.7662 8.02479 8.65193
|
|||
|
108 29.2587 35.2164 2.16002 8.80014
|
|||
|
109 27.8092 38.7818 7.873 8.80017
|
|||
|
|
|||
|
|
|||
|
Occupied orbitals : Number of molecular orbitals : 15
|
|||
|
Occupied orbitals before localization Average : 11.4226984152; Median : 10.5195885757; Variance : 6.2960319014; Standard deviation : 2.50918949093
|
|||
|
Occupied orbitals after localization Average : 3.00984501912; Median : 2.20259691276; Variance : 3.64984712402; Standard deviation : 1.91045730756
|
|||
|
|
|||
|
|
|||
|
Core orbitals : Number of molecular orbitals : 6
|
|||
|
Core orbitalses before localization : Average : 12.0800072608; Median : 12.2012113444; Variance : 6.91202816122; Standard deviation : 2.62907363176
|
|||
|
Core orbitals after localization : Average : 2.06690869614; Median : 2.05429755112; Variance : 0.0245962717487; Standard deviation : 0.156831985732
|
|||
|
|
|||
|
|
|||
|
Valence orbitals : Number of molecular orbitals : 9
|
|||
|
Valence orbitals before localization : Average : 10.9844925182; Median : 10.3586893823; Variance : 6.15796957854; Standard deviation : 2.48152565543
|
|||
|
Valence rbitals after localization : Average : 3.63846923444; Median : 2.25627303643; Variance : 5.26044866071; Standard deviation : 2.29356679883
|
|||
|
|
|||
|
|
|||
|
Virtual orbitals : Number of molecular orbitals : 94
|
|||
|
Virtual orbitals before localization : Average : 15.4791468938; Median : 14.4339242164; Variance : 52.9702649315; Standard deviation : 7.27806738987
|
|||
|
Virtual orbitals after localization : Average : 3.91241214168; Median : 3.10724389302; Variance : 6.4888949466; Standard deviation : 2.54733094564
|
|||
|
|
|||
|
+ qp set_file pyridine.localized
|
|||
|
+ case $1 in
|
|||
|
+ [[ -d pyridine.localized ]]
|
|||
|
+ ezfio set_file pyridine.localized
|
|||
|
+ case $1 in
|
|||
|
+ shift
|
|||
|
+ _ezfio_set_file pyridine.localized
|
|||
|
+ _require_first_argument pyridine.localized
|
|||
|
+ [[ -z pyridine.localized ]]
|
|||
|
+ return 0
|
|||
|
+ [[ ! -d pyridine.localized ]]
|
|||
|
+ export EZFIO_FILE=pyridine.localized
|
|||
|
+ EZFIO_FILE=pyridine.localized
|
|||
|
+ _ezfio_info 'Set file pyridine.localized'
|
|||
|
+ :
|
|||
|
+ return 0
|
|||
|
+ qp set determinants n_states 1
|
|||
|
+ case $1 in
|
|||
|
+ ezfio set determinants n_states 1
|
|||
|
+ case $1 in
|
|||
|
+ shift
|
|||
|
+ _ezfio_set determinants n_states 1
|
|||
|
+ _require_ezfio_file
|
|||
|
+ [[ -z pyridine.localized ]]
|
|||
|
+ [[ ! -d pyridine.localized ]]
|
|||
|
+ _require_first_argument determinants n_states 1
|
|||
|
+ [[ -z determinants ]]
|
|||
|
+ return 0
|
|||
|
+ _require_second_argument determinants n_states 1
|
|||
|
+ [[ -z n_states ]]
|
|||
|
+ [[ -z 1 ]]
|
|||
|
+ echo 1
|
|||
|
+ _ezfio_py set determinants n_states
|
|||
|
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_states
|
|||
|
+ return 0
|
|||
|
+ qp set determinants read_wf False
|
|||
|
+ case $1 in
|
|||
|
+ ezfio set determinants read_wf False
|
|||
|
+ case $1 in
|
|||
|
+ shift
|
|||
|
+ _ezfio_set determinants read_wf False
|
|||
|
+ _require_ezfio_file
|
|||
|
+ [[ -z pyridine.localized ]]
|
|||
|
+ [[ ! -d pyridine.localized ]]
|
|||
|
+ _require_first_argument determinants read_wf False
|
|||
|
+ [[ -z determinants ]]
|
|||
|
+ return 0
|
|||
|
+ _require_second_argument determinants read_wf False
|
|||
|
+ [[ -z read_wf ]]
|
|||
|
+ [[ -z False ]]
|
|||
|
+ echo False
|
|||
|
+ _ezfio_py set determinants read_wf
|
|||
|
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants read_wf
|
|||
|
+ return 0
|
|||
|
+ qp set determinants s2_eig False
|
|||
|
+ case $1 in
|
|||
|
+ ezfio set determinants s2_eig False
|
|||
|
+ case $1 in
|
|||
|
+ shift
|
|||
|
+ _ezfio_set determinants s2_eig False
|
|||
|
+ _require_ezfio_file
|
|||
|
+ [[ -z pyridine.localized ]]
|
|||
|
+ [[ ! -d pyridine.localized ]]
|
|||
|
+ _require_first_argument determinants s2_eig False
|
|||
|
+ [[ -z determinants ]]
|
|||
|
+ return 0
|
|||
|
+ _require_second_argument determinants s2_eig False
|
|||
|
+ [[ -z s2_eig ]]
|
|||
|
+ [[ -z False ]]
|
|||
|
+ echo False
|
|||
|
+ _ezfio_py set determinants s2_eig
|
|||
|
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants s2_eig
|
|||
|
+ return 0
|
|||
|
+ qp set determinants n_det_max 1e8
|
|||
|
+ case $1 in
|
|||
|
+ ezfio set determinants n_det_max 1e8
|
|||
|
+ case $1 in
|
|||
|
+ shift
|
|||
|
+ _ezfio_set determinants n_det_max 1e8
|
|||
|
+ _require_ezfio_file
|
|||
|
+ [[ -z pyridine.localized ]]
|
|||
|
+ [[ ! -d pyridine.localized ]]
|
|||
|
+ _require_first_argument determinants n_det_max 1e8
|
|||
|
+ [[ -z determinants ]]
|
|||
|
+ return 0
|
|||
|
+ _require_second_argument determinants n_det_max 1e8
|
|||
|
+ [[ -z n_det_max ]]
|
|||
|
+ [[ -z 1e8 ]]
|
|||
|
+ _ezfio_py set determinants n_det_max
|
|||
|
+ echo 1e8
|
|||
|
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_det_max
|
|||
|
+ return 0
|
|||
|
+ qp run fci
|
|||
|
+ case $1 in
|
|||
|
+ which qp_run
|
|||
|
+ [[ 0 -eq 0 ]]
|
|||
|
+ COMMAND='qp_$@'
|
|||
|
+ eval 'qp_$@' pyridine.localized
|
|||
|
++ qp_run fci pyridine.localized
|
|||
|
0.01 % in 1 seconds
|
|||
|
50.00 % in 9 seconds
|
|||
|
16.67 % in 8 seconds
|
|||
|
9.09 % in 6 seconds
|
|||
|
4.76 % in 6 seconds
|
|||
|
2.44 % in 6 seconds
|
|||
|
1.23 % in 7 seconds
|
|||
|
0.62 % in 7 seconds
|
|||
|
0.31 % in 9 seconds
|
|||
|
0.16 % in 8 seconds
|
|||
|
0.08 % in 7 seconds
|
|||
|
0.04 % in 7 seconds
|
|||
|
0.02 % in 7 seconds
|
|||
|
0.01 % in 7 seconds
|
|||
|
8.64 % in 17 seconds
|
|||
|
18.70 % in 27 seconds
|
|||
|
0.00 % in 7 seconds
|
|||
|
4.18 % in 17 seconds
|
|||
|
8.49 % in 27 seconds
|
|||
|
12.80 % in 37 seconds
|
|||
|
0.00 % in 7 seconds
|
|||
|
1.95 % in 17 seconds
|
|||
|
4.37 % in 27 seconds
|
|||
|
6.71 % in 37 seconds
|
|||
|
9.00 % in 47 seconds
|
|||
|
11.26 % in 57 seconds
|
|||
|
13.29 % in 67 seconds
|
|||
|
0.00 % in 7 seconds
|
|||
|
0.86 % in 17 seconds
|
|||
|
2.08 % in 27 seconds
|
|||
|
3.32 % in 37 seconds
|
|||
|
4.50 % in 47 seconds
|
|||
|
5.64 % in 57 seconds
|
|||
|
6.85 % in 67 seconds
|
|||
|
7.98 % in 77 seconds
|
|||
|
9.13 % in 87 seconds
|
|||
|
10.23 % in 97 seconds
|
|||
|
11.37 % in 107 seconds
|
|||
|
12.36 % in 117 seconds
|
|||
|
16.67 % in 6 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 9 seconds
|
|||
|
16.67 % in 8 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 7 seconds
|
|||
|
16.67 % in 6 seconds
|
|||
|
0.00 % in 8 seconds
|
|||
|
0.42 % in 19 seconds
|
|||
|
1.12 % in 29 seconds
|
|||
|
1.76 % in 39 seconds
|
|||
|
2.48 % in 49 seconds
|
|||
|
3.05 % in 59 seconds
|
|||
|
3.63 % in 69 seconds
|
|||
|
4.21 % in 79 seconds
|
|||
|
4.74 % in 89 seconds
|
|||
|
5.28 % in 99 seconds
|
|||
|
5.91 % in 109 seconds
|
|||
|
6.50 % in 119 seconds
|
|||
|
6.98 % in 129 seconds
|
|||
|
7.50 % in 139 seconds
|
|||
|
8.07 % in 149 seconds
|
|||
|
8.52 % in 159 seconds
|
|||
|
9.02 % in 169 seconds
|
|||
|
9.51 % in 179 seconds
|
|||
|
9.98 % in 189 seconds
|
|||
|
10.35 % in 199 seconds
|
|||
|
10.82 % in 209 seconds
|
|||
|
10.00 % in 6 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 9 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
10.00 % in 7 seconds
|
|||
|
0.00 % in 8 seconds
|
|||
|
0.09 % in 18 seconds
|
|||
|
0.46 % in 28 seconds
|
|||
|
0.80 % in 38 seconds
|
|||
|
1.15 % in 48 seconds
|
|||
|
1.53 % in 58 seconds
|
|||
|
1.93 % in 68 seconds
|
|||
|
2.26 % in 78 seconds
|
|||
|
2.62 % in 88 seconds
|
|||
|
2.82 % in 98 seconds
|
|||
|
3.14 % in 108 seconds
|
|||
|
3.35 % in 118 seconds
|
|||
|
3.65 % in 128 seconds
|
|||
|
4.04 % in 138 seconds
|
|||
|
4.21 % in 148 seconds
|
|||
|
4.51 % in 158 seconds
|
|||
|
4.87 % in 168 seconds
|
|||
|
5.11 % in 178 seconds
|
|||
|
5.38 % in 188 seconds
|
|||
|
5.60 % in 199 seconds
|
|||
|
5.89 % in 209 seconds
|
|||
|
6.12 % in 219 seconds
|
|||
|
6.39 % in 229 seconds
|
|||
|
6.57 % in 239 seconds
|
|||
|
6.80 % in 250 seconds
|
|||
|
7.00 % in 260 seconds
|
|||
|
7.26 % in 270 seconds
|
|||
|
7.45 % in 281 seconds
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7.68 % in 291 seconds
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7.87 % in 301 seconds
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8.07 % in 311 seconds
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8.23 % in 321 seconds
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8.42 % in 331 seconds
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8.57 % in 341 seconds
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8.78 % in 351 seconds
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8.96 % in 361 seconds
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9.12 % in 371 seconds
|
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9.32 % in 381 seconds
|
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9.53 % in 391 seconds
|
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9.65 % in 401 seconds
|
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9.72 % in 414 seconds
|
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|
9.76 % in 425 seconds
|
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5.56 % in 7 seconds
|
|||
|
50.00 % in 17 seconds
|
|||
|
5.56 % in 8 seconds
|
|||
|
50.00 % in 18 seconds
|
|||
|
5.56 % in 7 seconds
|
|||
|
50.00 % in 17 seconds
|
|||
|
5.56 % in 10 seconds
|
|||
|
50.00 % in 20 seconds
|
|||
|
5.56 % in 8 seconds
|
|||
|
50.00 % in 18 seconds
|
|||
|
5.56 % in 7 seconds
|
|||
|
50.00 % in 17 seconds
|
|||
|
5.56 % in 7 seconds
|
|||
|
50.00 % in 17 seconds
|
|||
|
5.56 % in 7 seconds
|
|||
|
50.00 % in 17 seconds
|
|||
|
5.56 % in 9 seconds
|
|||
|
44.44 % in 19 seconds
|
|||
|
5.56 % in 8 seconds
|
|||
|
44.44 % in 18 seconds
|
|||
|
5.56 % in 7 seconds
|
|||
|
44.44 % in 17 seconds
|
|||
|
0.00 % in 10 seconds
|
|||
|
0.02 % in 20 seconds
|
|||
|
0.14 % in 30 seconds
|
|||
|
0.29 % in 43 seconds
|
|||
|
0.60 % in 61 seconds
|
|||
|
0.90 % in 71 seconds
|
|||
|
1.07 % in 81 seconds
|
|||
|
1.22 % in 91 seconds
|
|||
|
1.46 % in 102 seconds
|
|||
|
1.54 % in 112 seconds
|
|||
|
1.82 % in 124 seconds
|
|||
|
1.99 % in 134 seconds
|
|||
|
2.21 % in 144 seconds
|
|||
|
2.33 % in 154 seconds
|
|||
|
2.53 % in 164 seconds
|