87 lines
8.4 KiB
Plaintext
87 lines
8.4 KiB
Plaintext
84
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -6.31794 -1.58011 1.30845 0.0017 0.0017 0.0017 -2.4534
|
|
Ag 3.93353 1.99007 4.51591 -0.0021 -0.0021 -0.0021 -2.5683
|
|
Ag -0.37063 1.18708 -3.65325 0.0033 0.0033 0.0033 -2.8520
|
|
Ag 2.71134 4.48354 -1.51313 0.0006 0.0006 0.0006 -2.5335
|
|
Ag 4.58465 3.32226 2.17696 -0.0031 -0.0031 -0.0031 -2.6818
|
|
Ag -4.87372 -0.57823 -3.27080 -0.0011 -0.0011 -0.0011 -2.4637
|
|
Ag 2.95289 5.45500 1.04064 0.0010 0.0010 0.0010 -2.3604
|
|
Ag 5.95496 0.91344 2.88991 -0.0020 -0.0020 -0.0020 -2.3772
|
|
Ag 1.53639 1.99475 -1.59006 -0.0018 -0.0018 -0.0018 -2.8917
|
|
Ag 5.41972 4.74434 -0.04982 -0.0008 -0.0008 -0.0008 -2.3236
|
|
Ag -4.20877 -1.04226 -0.51826 0.0007 0.0007 0.0007 -2.8244
|
|
Ag 3.34326 0.73581 1.94611 -0.0001 -0.0001 -0.0001 -2.9179
|
|
Ag -1.12691 0.27861 3.03719 -0.0006 -0.0006 -0.0006 -2.8802
|
|
Ag 0.54646 0.44696 0.87565 -0.0034 -0.0034 -0.0034 -2.8797
|
|
Ag 1.94611 3.17195 6.07599 0.0015 0.0015 0.0015 -2.3155
|
|
Ag -2.18619 -0.48602 -2.39077 -0.0016 -0.0016 -0.0016 -2.8788
|
|
Ag 1.68239 -3.49652 -4.77186 0.0003 0.0003 0.0003 -2.4069
|
|
Ag -0.47777 -1.41215 5.13493 -0.0005 -0.0005 -0.0005 -2.6264
|
|
Ag 2.07463 0.33565 5.77288 -0.0001 -0.0001 -0.0001 -2.4955
|
|
Ag -2.92587 1.33018 1.31040 0.0023 0.0023 0.0023 -2.8629
|
|
Ag 2.18993 -0.02867 -3.53247 0.0018 0.0018 0.0018 -2.8069
|
|
Ag -6.72816 -0.79536 -1.19325 0.0012 0.0012 0.0012 -2.2407
|
|
Ag -0.16007 4.16956 -0.88921 -0.0001 -0.0001 -0.0001 -2.6467
|
|
Ag -2.95279 -3.09397 4.33517 0.0039 0.0039 0.0039 -2.5386
|
|
Ag -5.60872 1.28049 0.47826 -0.0020 -0.0020 -0.0020 -2.4954
|
|
Ag -0.31773 -4.71584 0.47671 -0.0025 -0.0025 -0.0025 -2.6409
|
|
Ag -3.04189 -0.16505 4.91442 -0.0004 -0.0004 -0.0004 -2.5239
|
|
Ag -0.76660 2.86462 1.78603 0.0015 0.0015 0.0015 -2.8651
|
|
Ag -2.16198 -5.40571 -1.81285 0.0010 0.0010 0.0010 -2.3255
|
|
Ag -3.01953 1.19823 -4.50377 0.0000 0.0000 0.0000 -2.5424
|
|
Ag 1.35600 1.90144 3.55880 0.0001 0.0001 0.0001 -2.9086
|
|
Ag 4.57974 -2.36146 -1.20950 -0.0008 -0.0008 -0.0008 -2.4703
|
|
Ag -5.01687 0.77191 3.10634 -0.0002 -0.0002 -0.0002 -2.5313
|
|
Ag 6.14824 2.84461 -2.09713 0.0018 0.0018 0.0018 -2.2562
|
|
Ag -5.65249 -3.33261 -0.54180 0.0008 0.0008 0.0008 -2.3746
|
|
Ag 2.78636 -4.19630 0.02444 -0.0001 -0.0001 -0.0001 -2.4074
|
|
Ag 1.44114 -1.05282 3.06357 -0.0014 -0.0014 -0.0014 -2.8818
|
|
Ag -2.94453 -3.60722 0.20925 0.0019 0.0019 0.0019 -2.7886
|
|
Ag 4.95606 0.27539 -2.48153 -0.0006 -0.0006 -0.0006 -2.6799
|
|
Ag 4.15359 -0.68984 4.28572 0.0027 0.0027 0.0027 -2.4392
|
|
Ag -2.95030 3.72785 -0.18789 -0.0037 -0.0037 -0.0037 -2.5642
|
|
Ag 1.91522 -2.84061 4.96975 0.0003 0.0003 0.0003 -2.2969
|
|
Ag -4.55377 3.36971 2.03547 0.0014 0.0014 0.0014 -2.3836
|
|
Ag -5.22216 -1.66447 4.30156 0.0011 0.0011 0.0011 -2.2863
|
|
Ag 5.57122 -0.27400 0.29816 0.0028 0.0028 0.0028 -2.5734
|
|
Ag 2.94379 -0.29800 -0.61838 -0.0012 -0.0012 -0.0012 -2.8767
|
|
Ag 1.36600 1.57135 -5.77827 -0.0005 -0.0005 -0.0005 -2.4699
|
|
Ag 4.02822 -1.93319 -4.02802 -0.0021 -0.0021 -0.0021 -2.4661
|
|
Ag -2.38209 4.92955 2.48527 0.0005 0.0005 0.0005 -2.3680
|
|
Ag -0.35045 3.95792 4.27737 0.0022 0.0022 0.0022 -2.5479
|
|
Ag -1.00946 -3.05767 -1.76250 -0.0017 -0.0017 -0.0017 -2.8362
|
|
Ag -3.82658 1.71278 -1.62251 0.0014 0.0014 0.0014 -2.6530
|
|
Ag -2.39749 -5.06515 2.40149 0.0007 0.0007 0.0007 -2.3390
|
|
Ag -2.61161 2.55503 3.96437 -0.0008 -0.0008 -0.0008 -2.6323
|
|
Ag -3.68675 -3.10067 -2.61147 -0.0021 -0.0021 -0.0021 -2.6543
|
|
Ag 0.90343 3.79679 -3.52246 0.0018 0.0018 0.0018 -2.5164
|
|
Ag 2.57540 4.47974 3.72937 -0.0027 -0.0027 -0.0027 -2.5363
|
|
Ag -2.73463 -1.69867 -4.85611 0.0035 0.0035 0.0035 -2.5870
|
|
Ag -0.40583 1.63304 5.72993 0.0021 0.0021 0.0021 -2.4936
|
|
Ag 1.12092 -2.19222 0.49515 0.0027 0.0027 0.0027 -2.8583
|
|
Ag 0.39321 5.35833 2.01130 0.0020 0.0020 0.0020 -2.4550
|
|
Ag -1.97145 3.41555 -2.92103 -0.0005 -0.0005 -0.0005 -2.5783
|
|
Ag -0.86219 3.16828 -5.42845 -0.0005 -0.0005 -0.0005 -2.2819
|
|
Ag -0.84693 -2.51494 2.52623 -0.0002 -0.0002 -0.0002 -2.8918
|
|
Ag 4.14629 0.61430 -5.21008 -0.0014 -0.0014 -0.0014 -2.3141
|
|
Ag -0.04062 -1.55818 -3.99892 0.0032 0.0032 0.0032 -2.8583
|
|
Ag -1.64452 -1.11836 0.23253 -0.0023 -0.0023 -0.0023 -2.8646
|
|
Ag -0.90392 0.07922 -6.10774 -0.0006 -0.0006 -0.0006 -2.5387
|
|
Ag 1.97698 -1.04904 -5.98174 0.0008 0.0008 0.0008 -2.5137
|
|
Ag 1.99180 -2.66209 -2.19797 -0.0002 -0.0002 -0.0002 -2.8108
|
|
Ag 3.77310 2.72630 -3.19969 -0.0007 -0.0007 -0.0007 -2.5247
|
|
Ag 4.09409 2.20434 -0.45177 0.0004 0.0004 0.0004 -2.8792
|
|
Ag 0.68191 -5.08729 -2.10157 0.0011 0.0011 0.0011 -2.3899
|
|
Ag -3.51685 -1.42926 2.21715 -0.0042 -0.0042 -0.0042 -2.8786
|
|
Ag -1.21958 1.65017 -0.87464 0.0001 0.0001 0.0001 -2.8717
|
|
Ag 1.95326 3.08848 1.13679 -0.0005 -0.0005 -0.0005 -2.8424
|
|
Ag -0.36349 -4.17258 4.57978 -0.0008 -0.0008 -0.0008 -2.3416
|
|
Ag 3.76339 -1.99275 1.64849 0.0014 0.0014 0.0014 -2.6801
|
|
Ag -4.87759 -3.79178 2.18454 0.0003 0.0003 0.0003 -2.4666
|
|
Ag -1.35414 -4.25794 -4.24429 0.0007 0.0007 0.0007 -2.4843
|
|
Ag 0.40887 -0.53060 -1.57602 0.0004 0.0004 0.0004 -2.6934
|
|
Ag -0.63113 -2.75464 -6.43235 0.0039 0.0039 0.0039 -2.2786
|
|
Ag 1.61906 -3.92506 2.58348 0.0010 0.0010 0.0010 -2.5469
|
|
Ag 6.66815 2.24372 0.57047 0.0009 0.0009 0.0009 -2.3856
|