benzene/benzene_noS2_local.dat

27 lines
2.3 KiB
Plaintext

5 -230.71992820 -231.71869363 0.00000000 -231.38527572 0.00000000
10 -230.76093652 -231.67004325 0.00000000 -231.40253519 0.00000000
20 -230.80796668 -231.63661254 0.00000000 -231.41530045 0.00000000
40 -230.86373652 -231.58874997 0.00000000 -231.42113105 0.00000000
80 -230.89214599 -231.56729008 0.00000000 -231.42763934 0.00000000
160 -230.92217332 -231.55642581 0.00000000 -231.43595199 0.00000000
320 -230.95743944 -231.54130089 0.00000000 -231.44041552 0.00000000
640 -231.00005789 -231.52970891 0.00000000 -231.44909877 0.00000000
1280 -231.10167630 -231.51952172 0.00014913 -231.47222377 0.00013225
2560 -231.16126352 -231.51557692 0.00015473 -231.48247698 0.00014028
5120 -231.22463235 -231.51637458 0.00019132 -231.49502240 0.00017731
10240 -231.28329507 -231.52090717 0.00027047 -231.50770840 0.00025544
20480 -231.33020881 -231.52643331 0.00058628 -231.51804546 0.00056122
40960 -231.36600803 -231.53228847 0.00030301 -231.52663905 0.00029271
81920 -231.39288791 -231.53657828 0.00061435 -231.53257506 0.00059723
163840 -231.41413240 -231.54140029 0.00062380 -231.53837841 0.00060899
327680 -231.43195196 -231.54587265 0.00055658 -231.54353242 0.00054515
655360 -231.44700671 -231.54885563 0.00049762 -231.54704342 0.00048876
1310720 -231.46097026 -231.55213717 0.00045322 -231.55072252 0.00044619
2621440 -231.47375051 -231.55526062 0.00040253 -231.55415883 0.00039709
5242880 -231.48582938 -231.55830266 0.00036203 -231.55745147 0.00035778
10485760 -231.49751473 -231.56256801 0.00032228 -231.56190078 0.00031897
20971520 -231.50871375 -231.56470650 0.00027492 -231.56422301 0.00027255
41943040 -231.51912209 -231.56741913 0.00023958 -231.56706916 0.00023784
83886080 -231.52856773 -231.57008385 0.00019908 -231.56983219 0.00019787
167772160 -231.53665522 -231.57198096 0.00017482 -231.57180366 0.00017394