68 lines
6.5 KiB
Plaintext
68 lines
6.5 KiB
Plaintext
65
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.44312 -0.40504 2.25625 -0.0007 -0.0007 -0.0007 -2.8319
|
|
Ag -2.61251 -3.61161 1.61345 -0.0017 -0.0017 -0.0017 -2.5320
|
|
Ag 1.22347 3.85555 1.83360 0.0009 0.0009 0.0009 -2.6662
|
|
Ag 1.20465 1.93223 -4.06003 -0.0026 -0.0026 -0.0026 -2.5028
|
|
Ag -5.77565 1.05446 1.42081 -0.0017 -0.0017 -0.0017 -2.4520
|
|
Ag 0.03391 -5.18784 -2.02023 0.0017 0.0017 0.0017 -2.4970
|
|
Ag 3.54363 2.08518 -2.37412 0.0003 0.0003 0.0003 -2.5561
|
|
Ag 0.33115 -0.55659 4.84450 -0.0007 -0.0007 -0.0007 -2.4205
|
|
Ag 0.54457 -3.50289 -4.13611 -0.0004 -0.0004 -0.0004 -2.5732
|
|
Ag 0.40222 -0.73840 -0.19731 -0.0033 -0.0033 -0.0033 -2.6806
|
|
Ag -5.02387 3.04542 -0.55664 -0.0015 -0.0015 -0.0015 -2.4750
|
|
Ag -1.02549 3.68037 -0.04548 -0.0015 -0.0015 -0.0015 -2.8580
|
|
Ag 4.88530 1.29631 0.30985 -0.0027 -0.0027 -0.0027 -2.5099
|
|
Ag 4.85568 -0.41811 -2.05308 0.0047 0.0047 0.0047 -2.5526
|
|
Ag 0.69716 1.95157 3.90626 -0.0007 -0.0007 -0.0007 -2.5638
|
|
Ag 2.13092 -2.56898 3.80658 -0.0020 -0.0020 -0.0020 -2.5252
|
|
Ag -3.79336 -2.68877 -0.90149 -0.0001 -0.0001 -0.0001 -2.5411
|
|
Ag -0.87283 3.92808 -2.97981 0.0004 0.0004 0.0004 -2.4473
|
|
Ag -0.45419 -3.71386 3.30601 -0.0008 -0.0008 -0.0008 -2.5094
|
|
Ag -1.59623 -2.02321 -5.27060 -0.0017 -0.0017 -0.0017 -2.3212
|
|
Ag 3.19305 2.03928 2.52723 0.0029 0.0029 0.0029 -2.5780
|
|
Ag -1.11042 -1.25471 1.98173 0.0042 0.0042 0.0042 -2.8461
|
|
Ag 1.91813 -5.09217 2.70707 -0.0013 -0.0013 -0.0013 -2.3257
|
|
Ag 4.10086 -3.10508 1.81886 0.0007 0.0007 0.0007 -2.5202
|
|
Ag 3.49435 0.28371 -4.63798 -0.0017 -0.0017 -0.0017 -2.3249
|
|
Ag 0.97277 -0.71442 -4.97998 -0.0015 -0.0015 -0.0015 -2.5668
|
|
Ag 3.33424 -0.94985 0.31084 0.0001 0.0001 0.0001 -2.8625
|
|
Ag -3.05941 1.88248 1.11766 0.0017 0.0017 0.0017 -2.9025
|
|
Ag 4.46066 -3.05015 -1.25873 -0.0004 -0.0004 -0.0004 -2.5540
|
|
Ag -0.45007 1.39384 1.32623 -0.0033 -0.0033 -0.0033 -2.8526
|
|
Ag -3.31864 -1.04699 -3.17062 -0.0005 -0.0005 -0.0005 -2.5309
|
|
Ag -2.25489 -0.36787 -0.70880 -0.0009 -0.0009 -0.0009 -2.8612
|
|
Ag -0.78501 5.81815 1.42581 0.0017 0.0017 0.0017 -2.3590
|
|
Ag -0.50153 6.08912 -1.29298 0.0030 0.0030 0.0030 -2.3467
|
|
Ag -4.85839 0.25940 -1.03570 -0.0030 -0.0030 -0.0030 -2.4806
|
|
Ag -0.50440 -1.31931 -2.76707 -0.0002 -0.0002 -0.0002 -2.9127
|
|
Ag -0.23417 1.51237 -1.80340 0.0009 0.0009 0.0009 -2.8319
|
|
Ag 3.50954 3.60554 0.08325 0.0021 0.0021 0.0021 -2.4355
|
|
Ag 5.93689 -1.36434 0.44317 -0.0005 -0.0005 -0.0005 -2.3164
|
|
Ag -4.54022 0.16115 3.87068 0.0015 0.0015 0.0015 -2.2706
|
|
Ag -1.91597 0.93480 3.76164 -0.0019 -0.0019 -0.0019 -2.6736
|
|
Ag 1.39166 3.82136 -1.52256 -0.0009 -0.0009 -0.0009 -2.6342
|
|
Ag -2.45222 -1.66894 4.25851 -0.0008 -0.0008 -0.0008 -2.3258
|
|
Ag -6.01460 3.72971 1.80765 0.0017 0.0017 0.0017 -2.1394
|
|
Ag 2.88938 -4.71898 0.18882 0.0002 0.0002 0.0002 -2.4497
|
|
Ag 2.79815 -4.89717 -2.75603 0.0040 0.0040 0.0040 -2.2902
|
|
Ag 2.78715 0.34650 4.76666 0.0025 0.0025 0.0025 -2.2929
|
|
Ag -0.18361 -5.14573 0.89497 -0.0013 -0.0013 -0.0013 -2.5496
|
|
Ag 4.47803 -0.39088 2.76669 -0.0009 -0.0009 -0.0009 -2.4835
|
|
Ag -1.11701 -3.08783 -0.71070 0.0014 0.0014 0.0014 -2.8019
|
|
Ag 1.86308 1.39402 -0.20270 -0.0018 -0.0018 -0.0018 -2.7687
|
|
Ag -3.85799 -1.01566 1.47949 0.0033 0.0033 0.0033 -2.6716
|
|
Ag -2.91425 2.04815 -2.03315 -0.0012 -0.0012 -0.0012 -2.6503
|
|
Ag 2.13491 -0.13864 -2.33693 0.0044 0.0044 0.0044 -2.8067
|
|
Ag 3.07710 -2.28432 -3.82781 0.0002 0.0002 0.0002 -2.5542
|
|
Ag 1.68628 5.83189 0.09454 -0.0016 -0.0016 -0.0016 -2.2534
|
|
Ag -1.65556 0.52346 -4.60579 0.0049 0.0049 0.0049 -2.3220
|
|
Ag -1.43899 3.57067 2.92082 -0.0024 -0.0024 -0.0024 -2.6320
|
|
Ag -3.44399 4.61584 1.25162 0.0001 0.0001 0.0001 -2.5805
|
|
Ag 1.69199 -2.77283 -1.48436 0.0009 0.0009 0.0009 -2.8903
|
|
Ag 1.25313 -2.88431 1.24949 -0.0026 -0.0026 -0.0026 -2.7778
|
|
Ag -3.10449 4.80327 -1.56184 0.0002 0.0002 0.0002 -2.3889
|
|
Ag -4.18740 2.69256 3.41185 -0.0008 -0.0008 -0.0008 -2.4146
|
|
Ag -2.54631 -5.30192 -0.81052 0.0002 0.0002 0.0002 -2.2981
|
|
Ag -2.13542 -3.67099 -3.13197 0.0025 0.0025 0.0025 -2.5635
|