57 lines
5.4 KiB
Plaintext
57 lines
5.4 KiB
Plaintext
54
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 4.19776 1.31240 1.67364 0.0007 0.0007 0.0007 -2.4818
|
|
Ag 1.24846 -2.26496 -0.93810 0.0019 0.0019 0.0019 -2.8493
|
|
Ag -0.46549 -0.87344 -5.14615 0.0011 0.0011 0.0011 -2.2984
|
|
Ag -4.24048 -0.78748 3.26419 -0.0008 -0.0008 -0.0008 -2.3091
|
|
Ag -2.06425 -2.73539 -3.53570 -0.0014 -0.0014 -0.0014 -2.5122
|
|
Ag 0.51795 0.33090 2.72222 -0.0003 -0.0003 -0.0003 -2.8728
|
|
Ag 1.66683 4.34250 -0.83175 0.0006 0.0006 0.0006 -2.5569
|
|
Ag 0.10192 -0.05797 0.10266 0.0029 0.0029 0.0029 -2.7229
|
|
Ag -2.77655 0.03323 -3.76828 -0.0001 -0.0001 -0.0001 -2.5799
|
|
Ag -0.09313 -2.38509 1.55986 -0.0018 -0.0018 -0.0018 -2.8468
|
|
Ag -3.60283 2.90495 -0.02441 0.0008 0.0008 0.0008 -2.5470
|
|
Ag -0.36582 -4.31673 -1.64140 -0.0002 -0.0002 -0.0002 -2.5548
|
|
Ag -3.44446 -4.10053 -1.45925 0.0006 0.0006 0.0006 -2.3076
|
|
Ag 0.75211 -1.72049 4.46181 0.0003 0.0003 0.0003 -2.5262
|
|
Ag -0.43549 1.69978 -4.40184 0.0033 0.0033 0.0033 -2.5043
|
|
Ag -2.02921 4.51199 2.18763 0.0033 0.0033 0.0033 -2.2560
|
|
Ag 0.66260 4.33556 1.79587 -0.0029 -0.0029 -0.0029 -2.5420
|
|
Ag -1.89036 -4.57853 0.68278 0.0016 0.0016 0.0016 -2.3999
|
|
Ag -0.61817 2.68093 3.73627 0.0023 0.0023 0.0023 -2.5660
|
|
Ag -1.92832 -2.34412 3.67293 0.0014 0.0014 0.0014 -2.4568
|
|
Ag 3.43499 4.01157 1.30867 0.0015 0.0015 0.0015 -2.3488
|
|
Ag -4.17211 -1.36607 -1.67551 -0.0010 -0.0010 -0.0010 -2.5600
|
|
Ag 0.94465 -2.72989 -3.68429 0.0034 0.0034 0.0034 -2.5580
|
|
Ag 1.71306 1.98291 0.68075 -0.0004 -0.0004 -0.0004 -2.8699
|
|
Ag 2.60848 -0.78492 1.19648 -0.0002 -0.0002 -0.0002 -2.7800
|
|
Ag 2.21159 2.54315 3.40906 0.0028 0.0028 0.0028 -2.5889
|
|
Ag 1.88913 0.07907 -4.30298 -0.0021 -0.0021 -0.0021 -2.5321
|
|
Ag 1.00269 0.91429 5.40391 -0.0013 -0.0013 -0.0013 -2.3228
|
|
Ag 4.49307 0.78428 -3.14057 -0.0033 -0.0033 -0.0033 -2.3090
|
|
Ag -1.10721 2.18967 1.04226 -0.0011 -0.0011 -0.0011 -2.8878
|
|
Ag -0.27908 -0.48037 -2.61571 0.0028 0.0028 0.0028 -2.8231
|
|
Ag 3.00791 -0.12407 3.83167 -0.0004 -0.0004 -0.0004 -2.4777
|
|
Ag 3.74403 -3.01903 0.09466 -0.0022 -0.0022 -0.0022 -2.4539
|
|
Ag -3.91263 -2.52055 0.88996 0.0015 0.0015 0.0015 -2.5127
|
|
Ag 4.70874 -0.45278 -0.64397 0.0026 0.0026 0.0026 -2.4741
|
|
Ag -3.42779 1.78943 2.57057 -0.0018 -0.0018 -0.0018 -2.5271
|
|
Ag 2.27902 0.40745 -1.55252 -0.0046 -0.0046 -0.0046 -2.8840
|
|
Ag 0.08484 4.42835 -3.10041 0.0003 0.0003 0.0003 -2.2729
|
|
Ag 2.42000 -4.49385 -1.91262 0.0001 0.0001 0.0001 -2.3319
|
|
Ag -1.65788 0.26328 4.43734 0.0041 0.0041 0.0041 -2.5382
|
|
Ag -2.08885 -0.41672 1.66048 -0.0037 -0.0037 -0.0037 -2.8598
|
|
Ag 0.02545 2.15476 -1.64857 -0.0017 -0.0017 -0.0017 -2.8891
|
|
Ag -4.85197 1.31127 -2.04646 -0.0025 -0.0025 -0.0025 -2.3228
|
|
Ag -1.70410 -2.16561 -0.80792 -0.0026 -0.0026 -0.0026 -2.8596
|
|
Ag 4.13168 2.43303 -0.83673 -0.0013 -0.0013 -0.0013 -2.5506
|
|
Ag -2.55716 2.67324 -2.92582 -0.0013 -0.0013 -0.0013 -2.5324
|
|
Ag 2.66918 -2.81932 2.91227 -0.0003 -0.0003 -0.0003 -2.3863
|
|
Ag -4.57746 0.34845 0.66798 -0.0007 -0.0007 -0.0007 -2.5649
|
|
Ag -1.37105 4.30685 -0.75459 0.0013 0.0013 0.0013 -2.5197
|
|
Ag 2.44142 2.83164 -2.99392 0.0031 0.0031 0.0031 -2.5202
|
|
Ag 1.33700 -4.56574 0.69316 -0.0007 -0.0007 -0.0007 -2.5175
|
|
Ag -2.37960 0.62464 -1.08879 -0.0014 -0.0014 -0.0014 -2.8883
|
|
Ag 0.04068 -4.40009 3.24003 0.0020 0.0020 0.0020 -2.2099
|
|
Ag 3.49705 -1.93502 -2.63005 -0.0002 -0.0002 -0.0002 -2.5505
|