mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 12:55:17 +01:00
f86038a7fd
All imports inside the test cases refer now to paths relative to TRIQS python library path. For example, `import vaspio` is replaced with `import applications.dft.converters.plovasp.vasio` In this way all tests can be executed wtih `build_pytriqs` provided that the package is installed (the same practice as with other 'dft_tools' tests). Also, the underscore can now be removed from subdirectory names because there is no more conflict with module names.
925 lines
30 KiB
Plaintext
925 lines
30 KiB
Plaintext
5 5 1 1
|
|
0.1133347E+02 0.3841000E-09 0.3841000E-09 0.3841000E-09 0.4000000E-15
|
|
1.000000000000000E-004
|
|
CAR
|
|
unknown system
|
|
39 27 32
|
|
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.331895 1.000000
|
|
2 -34.331895 1.000000
|
|
3 -34.331895 1.000000
|
|
4 -29.176427 1.000000
|
|
5 -14.391027 1.000000
|
|
6 -13.198448 1.000000
|
|
7 -13.198448 1.000000
|
|
8 -11.183003 1.000000
|
|
9 -11.183003 1.000000
|
|
10 -11.183003 1.000000
|
|
11 0.198914 1.000000
|
|
12 0.198914 1.000000
|
|
13 0.198914 1.000000
|
|
14 2.145864 1.000000
|
|
15 2.145864 1.000000
|
|
16 2.145864 1.000000
|
|
17 2.999365 1.000000
|
|
18 2.999365 1.000000
|
|
19 2.999365 1.000000
|
|
20 4.411145 1.090258
|
|
21 4.411145 1.190893
|
|
22 4.411146 1.072447
|
|
23 6.648416 0.000000
|
|
24 6.648416 0.000000
|
|
25 8.952888 0.000000
|
|
26 8.952888 0.000000
|
|
27 10.135511 0.000000
|
|
28 11.917446 0.000000
|
|
29 11.917446 0.000000
|
|
30 11.917446 0.000000
|
|
31 18.692743 0.000000
|
|
32 21.043713 0.000000
|
|
|
|
0.3333333E+00 0.0000000E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.358741 1.000000
|
|
2 -34.330681 1.000000
|
|
3 -34.330681 1.000000
|
|
4 -29.152035 1.000000
|
|
5 -14.499587 1.000000
|
|
6 -13.164022 1.000000
|
|
7 -13.136385 1.000000
|
|
8 -11.136748 1.000000
|
|
9 -11.136748 1.000000
|
|
10 -10.695102 1.000000
|
|
11 -0.941518 1.000000
|
|
12 0.165668 1.000000
|
|
13 0.165668 1.000000
|
|
14 1.097086 1.000000
|
|
15 1.097086 1.000000
|
|
16 1.193144 1.000000
|
|
17 1.473070 1.000000
|
|
18 2.621244 1.000000
|
|
19 2.621244 1.000000
|
|
20 4.502816 1.122688
|
|
21 5.952065 0.044382
|
|
22 5.952065 0.043895
|
|
23 6.661896 0.000000
|
|
24 8.535496 0.000000
|
|
25 10.434292 0.000000
|
|
26 10.510502 0.000000
|
|
27 11.758870 0.000000
|
|
28 12.433031 0.000000
|
|
29 12.869868 0.000000
|
|
30 12.869868 0.000000
|
|
31 17.900522 0.000000
|
|
32 19.234548 0.000000
|
|
|
|
-0.3333333E+00 0.0000000E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.358741 1.000000
|
|
2 -34.330681 1.000000
|
|
3 -34.330681 1.000000
|
|
4 -29.152035 1.000000
|
|
5 -14.499587 1.000000
|
|
6 -13.164022 1.000000
|
|
7 -13.136385 1.000000
|
|
8 -11.136748 1.000000
|
|
9 -11.136748 1.000000
|
|
10 -10.695102 1.000000
|
|
11 -0.941518 1.000000
|
|
12 0.165668 1.000000
|
|
13 0.165668 1.000000
|
|
14 1.097086 1.000000
|
|
15 1.097086 1.000000
|
|
16 1.193144 1.000000
|
|
17 1.473070 1.000000
|
|
18 2.621244 1.000000
|
|
19 2.621244 1.000000
|
|
20 4.502816 1.122688
|
|
21 5.952065 0.044382
|
|
22 5.952065 0.043895
|
|
23 6.661896 0.000000
|
|
24 8.535496 0.000000
|
|
25 10.434292 0.000000
|
|
26 10.510502 0.000000
|
|
27 11.758870 0.000000
|
|
28 12.433031 0.000000
|
|
29 12.869868 0.000000
|
|
30 12.869868 0.000000
|
|
31 17.900522 0.000000
|
|
32 19.234548 0.000000
|
|
|
|
0.0000000E+00 0.3333333E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.358741 1.000000
|
|
2 -34.330681 1.000000
|
|
3 -34.330681 1.000000
|
|
4 -29.152035 1.000000
|
|
5 -14.499587 1.000000
|
|
6 -13.164023 1.000000
|
|
7 -13.136385 1.000000
|
|
8 -11.136748 1.000000
|
|
9 -11.136748 1.000000
|
|
10 -10.695102 1.000000
|
|
11 -0.941517 1.000000
|
|
12 0.165668 1.000000
|
|
13 0.165668 1.000000
|
|
14 1.097086 1.000000
|
|
15 1.097086 1.000000
|
|
16 1.193144 1.000000
|
|
17 1.473070 1.000000
|
|
18 2.621244 1.000000
|
|
19 2.621244 1.000000
|
|
20 4.502816 1.122688
|
|
21 5.952065 0.044382
|
|
22 5.952065 0.043895
|
|
23 6.661896 0.000000
|
|
24 8.535496 0.000000
|
|
25 10.434292 0.000000
|
|
26 10.510502 0.000000
|
|
27 11.758870 0.000000
|
|
28 12.433031 0.000000
|
|
29 12.869868 0.000000
|
|
30 12.869868 0.000000
|
|
31 17.900522 0.000000
|
|
32 19.234548 0.000000
|
|
|
|
0.3333333E+00 0.3333333E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899611 0.232641
|
|
21 5.990436 0.025779
|
|
22 6.273098 0.003507
|
|
23 7.521524 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
-0.3333333E+00 0.3333333E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899611 0.205270
|
|
21 5.990436 0.000000
|
|
22 6.273098 0.000000
|
|
23 7.521524 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.0000000E+00 -0.3333333E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.358741 1.000000
|
|
2 -34.330681 1.000000
|
|
3 -34.330681 1.000000
|
|
4 -29.152035 1.000000
|
|
5 -14.499587 1.000000
|
|
6 -13.164023 1.000000
|
|
7 -13.136385 1.000000
|
|
8 -11.136748 1.000000
|
|
9 -11.136748 1.000000
|
|
10 -10.695102 1.000000
|
|
11 -0.941517 1.000000
|
|
12 0.165668 1.000000
|
|
13 0.165668 1.000000
|
|
14 1.097086 1.000000
|
|
15 1.097086 1.000000
|
|
16 1.193144 1.000000
|
|
17 1.473070 1.000000
|
|
18 2.621244 1.000000
|
|
19 2.621244 1.000000
|
|
20 4.502816 1.122688
|
|
21 5.952065 0.044382
|
|
22 5.952065 0.043895
|
|
23 6.661896 0.000000
|
|
24 8.535496 0.000000
|
|
25 10.434292 0.000000
|
|
26 10.510502 0.000000
|
|
27 11.758870 0.000000
|
|
28 12.433031 0.000000
|
|
29 12.869868 0.000000
|
|
30 12.869868 0.000000
|
|
31 17.900522 0.000000
|
|
32 19.234548 0.000000
|
|
|
|
0.3333333E+00 -0.3333333E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899611 0.205270
|
|
21 5.990436 0.000000
|
|
22 6.273098 0.000000
|
|
23 7.521524 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
-0.3333333E+00 -0.3333333E+00 0.0000000E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899611 0.232641
|
|
21 5.990436 0.025779
|
|
22 6.273098 0.003507
|
|
23 7.521524 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.0000000E+00 0.0000000E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.358741 1.000000
|
|
2 -34.330681 1.000000
|
|
3 -34.330681 1.000000
|
|
4 -29.152035 1.000000
|
|
5 -14.499587 1.000000
|
|
6 -13.164022 1.000000
|
|
7 -13.136385 1.000000
|
|
8 -11.136748 1.000000
|
|
9 -11.136748 1.000000
|
|
10 -10.695102 1.000000
|
|
11 -0.941517 1.000000
|
|
12 0.165668 1.000000
|
|
13 0.165668 1.000000
|
|
14 1.097086 1.000000
|
|
15 1.097086 1.000000
|
|
16 1.193144 1.000000
|
|
17 1.473070 1.000000
|
|
18 2.621244 1.000000
|
|
19 2.621244 1.000000
|
|
20 4.502817 1.122688
|
|
21 5.952065 0.044382
|
|
22 5.952065 0.043895
|
|
23 6.661895 0.000000
|
|
24 8.535496 0.000000
|
|
25 10.434292 0.000000
|
|
26 10.510502 0.000000
|
|
27 11.758870 0.000000
|
|
28 12.433031 0.000000
|
|
29 12.869868 0.000000
|
|
30 12.869868 0.000000
|
|
31 17.900522 0.000000
|
|
32 19.234548 0.000000
|
|
|
|
0.3333333E+00 0.0000000E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.205269
|
|
21 5.990436 0.000000
|
|
22 6.273097 0.000000
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
-0.3333333E+00 0.0000000E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.232641
|
|
21 5.990436 0.025779
|
|
22 6.273097 0.003507
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.0000000E+00 0.3333333E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.205269
|
|
21 5.990436 0.000000
|
|
22 6.273097 0.000000
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.3333333E+00 0.3333333E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.002701
|
|
21 6.446830 0.000000
|
|
22 6.446830 0.000000
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870150 0.000000
|
|
|
|
-0.3333333E+00 0.3333333E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.002701
|
|
21 6.446830 0.000000
|
|
22 6.446830 0.000000
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870149 0.000000
|
|
|
|
0.0000000E+00 -0.3333333E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.232641
|
|
21 5.990436 0.025779
|
|
22 6.273097 0.003507
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989012 0.000000
|
|
|
|
0.3333333E+00 -0.3333333E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.002701
|
|
21 6.446830 0.000000
|
|
22 6.446830 0.000000
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870150 0.000000
|
|
|
|
-0.3333333E+00 -0.3333333E+00 0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.051820
|
|
21 6.446830 -0.014259
|
|
22 6.446830 -0.006945
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870151 0.000000
|
|
|
|
0.0000000E+00 0.0000000E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.358741 1.000000
|
|
2 -34.330681 1.000000
|
|
3 -34.330681 1.000000
|
|
4 -29.152035 1.000000
|
|
5 -14.499587 1.000000
|
|
6 -13.164022 1.000000
|
|
7 -13.136385 1.000000
|
|
8 -11.136748 1.000000
|
|
9 -11.136748 1.000000
|
|
10 -10.695102 1.000000
|
|
11 -0.941517 1.000000
|
|
12 0.165668 1.000000
|
|
13 0.165668 1.000000
|
|
14 1.097086 1.000000
|
|
15 1.097086 1.000000
|
|
16 1.193144 1.000000
|
|
17 1.473070 1.000000
|
|
18 2.621244 1.000000
|
|
19 2.621244 1.000000
|
|
20 4.502817 1.122688
|
|
21 5.952065 0.044382
|
|
22 5.952065 0.043895
|
|
23 6.661895 0.000000
|
|
24 8.535496 0.000000
|
|
25 10.434292 0.000000
|
|
26 10.510502 0.000000
|
|
27 11.758870 0.000000
|
|
28 12.433031 0.000000
|
|
29 12.869868 0.000000
|
|
30 12.869868 0.000000
|
|
31 17.900522 0.000000
|
|
32 19.234548 0.000000
|
|
|
|
0.3333333E+00 0.0000000E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.232641
|
|
21 5.990436 0.025779
|
|
22 6.273097 0.003507
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
-0.3333333E+00 0.0000000E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.205269
|
|
21 5.990436 0.000000
|
|
22 6.273097 0.000000
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.0000000E+00 0.3333333E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.232641
|
|
21 5.990436 0.025779
|
|
22 6.273097 0.003507
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.3333333E+00 0.3333333E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.051820
|
|
21 6.446830 -0.014259
|
|
22 6.446830 -0.006945
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870149 0.000000
|
|
|
|
-0.3333333E+00 0.3333333E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.002701
|
|
21 6.446830 0.000000
|
|
22 6.446830 0.000000
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257857 0.000000
|
|
32 18.870150 0.000000
|
|
|
|
0.0000000E+00 -0.3333333E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.357122 1.000000
|
|
2 -34.356644 1.000000
|
|
3 -34.329482 1.000000
|
|
4 -29.133055 1.000000
|
|
5 -14.126294 1.000000
|
|
6 -13.420440 1.000000
|
|
7 -13.137544 1.000000
|
|
8 -11.085557 1.000000
|
|
9 -10.876029 1.000000
|
|
10 -10.787571 1.000000
|
|
11 -1.217085 1.000000
|
|
12 -0.751410 1.000000
|
|
13 -0.734823 1.000000
|
|
14 0.198452 1.000000
|
|
15 0.607984 1.000000
|
|
16 1.510872 1.000000
|
|
17 1.709350 1.000000
|
|
18 1.837029 1.000000
|
|
19 2.884344 1.000000
|
|
20 5.899612 0.205269
|
|
21 5.990436 0.000000
|
|
22 6.273097 0.000000
|
|
23 7.521523 0.000000
|
|
24 9.888552 0.000000
|
|
25 11.192322 0.000000
|
|
26 12.056704 0.000000
|
|
27 12.132574 0.000000
|
|
28 12.804293 0.000000
|
|
29 12.935408 0.000000
|
|
30 14.083760 0.000000
|
|
31 17.858024 0.000000
|
|
32 17.989010 0.000000
|
|
|
|
0.3333333E+00 -0.3333333E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.002701
|
|
21 6.446830 0.000000
|
|
22 6.446830 0.000000
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870153 0.000000
|
|
|
|
-0.3333333E+00 -0.3333333E+00 -0.3333333E+00 0.3703704E-01
|
|
1 -34.355628 1.000000
|
|
2 -34.355254 1.000000
|
|
3 -34.355254 1.000000
|
|
4 -29.115338 1.000000
|
|
5 -13.705395 1.000000
|
|
6 -13.155560 1.000000
|
|
7 -13.155560 1.000000
|
|
8 -11.253533 1.000000
|
|
9 -11.253533 1.000000
|
|
10 -10.910412 1.000000
|
|
11 -1.269213 1.000000
|
|
12 -0.707627 1.000000
|
|
13 -0.707627 1.000000
|
|
14 -0.503202 1.000000
|
|
15 -0.237872 1.000000
|
|
16 -0.237872 1.000000
|
|
17 2.710136 1.000000
|
|
18 2.710136 1.000000
|
|
19 3.029742 1.000000
|
|
20 6.400258 0.002701
|
|
21 6.446830 0.000000
|
|
22 6.446830 0.000000
|
|
23 9.844952 0.000000
|
|
24 9.844953 0.000000
|
|
25 11.393940 0.000000
|
|
26 11.515381 0.000000
|
|
27 11.515381 0.000000
|
|
28 12.815368 0.000000
|
|
29 12.815368 0.000000
|
|
30 15.067311 0.000000
|
|
31 17.257856 0.000000
|
|
32 18.870149 0.000000
|