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example_input.vasp
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example_input.vasp
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Cu
1.0
10.8449 0.0000000000 0.0000000000
0.0000000000 10.8449 0.0000000000
0.0000000000 0.0000000000 40.0
H O Cu
96 48 54
Cartesian
6.88089 6.20279 17.1604
2.45256 9.48028 20.6869
9.394 3.68914 16.6599
6.09638 1.95276 19.8043
8.57309 2.71959 17.4977
5.04959 2.04393 20.9774
0.996378 0.486717 12.7101
7.54325 3.31198 20.5683
2.4102 10.4909 19.481
6.24975 10.2389 22.7785
10.6207 1.75527 15.8022
3.18392 9.92293 13.0492
7.30935 5.0525 16.3498
6.16278 9.08873 17.5966
3.88914 9.67785 17.9349
3.41433 0.334777 17.897
3.61724 4.64545 9.92621
0.116952 8.60136 10.7309
0.200185 3.37958 19.3447
1.46159 6.62279 18.5035
8.86817 9.00515 18.175
0.791904 2.72806 15.179
2.98132 4.38376 11.2391
1.4589 4.18299 19.7163
0.258773 7.36864 18.9662
1.08515 8.77606 11.8287
2.86116 0.899032 21.1176
4.72239 7.74547 14.149
7.05298 7.85515 17.5985
6.65512 7.96517 11.9815
5.14696 7.86818 12.0652
3.31983 2.33188 10.2933
4.72982 8.91536 24.3212
6.82517 3.56181 22.568
3.32957 3.73539 14.4671
5.79461 4.42892 23.1219
7.57072 9.6084 14.5207
2.34499 7.77801 21.7517
3.69225 8.42661 22.2317
1.56101 8.80879 17.0755
6.10902 10.1865 14.2824
2.40496 2.47003 14.092
1.04948 6.69286 13.5166
8.96781 9.94885 11.5332
8.31371 1.13717 10.8251
5.86968 8.46277 23.5004
3.68438 0.989704 10.7407
10.7827 0.148111 20.3427
7.00778 0.665996 10.5477
2.42954 6.90885 13.8378
3.78892 10.45 15.1966
4.06857 1.10177 15.5695
5.47809 5.99957 10.6289
2.74891 3.09851 17.6549
3.40873 7.16939 17.2963
8.65365 3.33413 19.6429
8.27709 9.06461 12.5397
8.45818 3.87507 12.4011
9.18152 1.63992 12.8022
4.70317 5.42224 12.8618
3.34219 7.80298 15.9583
7.9477 7.49526 14.6296
9.69212 0.855103 21.034
7.5865 6.04506 23.977
7.59994 7.49844 23.264
3.22241 3.87122 16.4358
7.25144 4.13242 14.288
8.63337 8.32115 15.6644
5.35653 4.50642 10.6576
10.3945 1.56263 11.9113
5.326 6.88669 15.1622
7.89149 0.61599 15.6074
5.31893 3.97788 12.9406
8.52962 1.23166 22.6615
6.54434 2.8 13.9751
9.7197 3.34635 11.6717
3.5439 7.04866 10.6087
1.44031 0.185985 17.2443
7.44495 1.04351 16.9501
0.155381 9.19233 17.1127
5.04619 2.64793 18.0028
5.38104 1.16679 18.0992
1.51087 1.55852 16.6305
6.19543 0.222135 12.2988
6.74049 6.57477 19.9871
8.73349 2.63578 23.0379
8.90886 8.81595 20.4406
6.39707 0.733986 21.9649
2.22364 2.18053 21.2504
9.91309 9.9622 18.774
8.22517 9.23881 21.7787
4.87941 10.4091 11.9497
7.43673 5.33024 19.2815
2.13656 0.526437 11.8434
2.54845 8.29753 10.5952
3.31307 8.44144 13.0271
6.82994 5.77162 16.2111
9.70862 9.00649 18.6191
1.90099 0.708941 12.8121
6.03417 2.01422 20.8527
8.74615 3.71968 17.3692
6.88861 0.0137304 22.4897
1.9164 10.2419 20.2837
7.04282 8.73155 17.2965
1.11887 3.29353 19.5513
10.7327 2.59416 15.4899
2.79054 4.4453 10.3002
4.52665 7.03452 14.6955
0.744599 6.5694 19.1214
3.10157 1.81557 21.3394
5.93258 7.40272 12.3103
0.932127 8.97195 10.8884
6.58498 4.02423 23.3663
3.9949 10.5525 18.3569
3.13607 1.42638 10.0658
3.27105 7.93203 21.493
9.91114 0.387668 20.1818
2.62462 3.08444 14.8801
7.71826 1.00159 10.0971
7.04878 10.36 14.1519
4.96204 8.88691 23.3928
1.78706 7.13316 13.159
3.21141 8.03325 16.9253
8.70336 9.06256 11.6479
4.38038 0.331137 15.0913
3.40942 3.79314 17.4318
8.55698 8.2671 14.6921
7.16277 6.94195 23.9537
5.65789 5.21479 10.0851
8.18057 3.86988 20.2509
4.54381 4.47679 12.8167
9.53732 1.10803 12.0857
9.28924 4.17555 11.967
7.17673 3.47806 13.6125
8.23448 0.95879 16.4248
5.73579 2.00579 18.2097
1.02768 9.52101 16.7938
5.49382 0.242431 11.6136
9.19748 1.85014 22.8123
6.91 6.16825 19.1345
1.84188 1.09722 17.3821
3.25606 7.78791 10.0736
8.28518 8.54077 21.1801
3.8745 9.19362 12.8965
0 1.80748 3.80748
1.80748 0 3.80748
0 0 5.61496
0 1.80748 7.42244
1.80748 0 7.42244
1.80748 1.80748 5.61496
0 5.42244 3.80748
1.80748 3.61496 3.80748
0 3.61496 5.61496
0 5.42244 7.42244
1.80748 3.61496 7.42244
1.80748 5.42244 5.61496
0 9.0374 3.80748
1.80748 7.22992 3.80748
0 7.22992 5.61496
0 9.0374 7.42244
1.80748 7.22992 7.42244
1.80748 9.0374 5.61496
3.61496 1.80748 3.80748
5.42244 0 3.80748
3.61496 0 5.61496
3.61496 1.80748 7.42244
5.42244 0 7.42244
5.42244 1.80748 5.61496
3.61496 5.42244 3.80748
5.42244 3.61496 3.80748
3.61496 3.61496 5.61496
3.61496 5.42244 7.42244
5.42244 3.61496 7.42244
5.42244 5.42244 5.61496
3.61496 9.0374 3.80748
5.42244 7.22992 3.80748
3.61496 7.22992 5.61496
3.61496 9.0374 7.42244
5.42244 7.22992 7.42244
5.42244 9.0374 5.61496
7.22992 1.80748 3.80748
9.0374 0 3.80748
7.22992 0 5.61496
7.22992 1.80748 7.42244
9.0374 0 7.42244
9.0374 1.80748 5.61496
7.22992 5.42244 3.80748
9.0374 3.61496 3.80748
7.22992 3.61496 5.61496
7.22992 5.42244 7.42244
9.0374 3.61496 7.42244
9.0374 5.42244 5.61496
7.22992 9.0374 3.80748
9.0374 7.22992 3.80748
7.22992 7.22992 5.61496
7.22992 9.0374 7.42244
9.0374 7.22992 7.42244
9.0374 9.0374 5.61496