80 lines
7.7 KiB
Plaintext
80 lines
7.7 KiB
Plaintext
77
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -0.28909 -7.08837 -0.08859 -0.0035 -0.0035 -0.0035 -2.1447
|
|
Ag -2.94758 -5.74268 -0.95364 0.0020 0.0020 0.0020 -2.2865
|
|
Ag -1.43006 2.34552 2.94174 0.0032 0.0032 0.0032 -2.4799
|
|
Ag 2.35073 0.22338 5.80855 -0.0017 -0.0017 -0.0017 -2.1675
|
|
Ag 1.86634 -1.55820 2.70722 -0.0126 -0.0126 -0.0126 -2.5459
|
|
Ag -0.45253 0.02390 -5.51842 0.0042 0.0042 0.0042 -2.4385
|
|
Ag -0.78509 -6.33533 -2.57881 -0.0080 -0.0080 -0.0080 -2.4207
|
|
Ag -2.97457 -2.44397 -0.92683 0.0023 0.0023 0.0023 -2.5478
|
|
Ag -2.57909 -4.68236 -3.63292 0.0076 0.0076 0.0076 -2.3394
|
|
Ag -3.51792 0.25383 0.67761 0.0005 0.0005 0.0005 -2.6416
|
|
Ag 1.81614 -4.42705 -1.79045 0.0028 0.0028 0.0028 -2.2024
|
|
Ag -1.75484 5.50567 -2.03861 0.0000 0.0000 0.0000 -2.3922
|
|
Ag -4.38012 2.67422 -3.12308 0.0003 0.0003 0.0003 -2.3309
|
|
Ag 1.42016 6.15030 0.93032 -0.0098 -0.0098 -0.0098 -2.4567
|
|
Ag -5.36218 -1.42627 1.75938 -0.0049 -0.0049 -0.0049 -1.9697
|
|
Ag -5.41754 2.06868 1.72277 -0.0037 -0.0037 -0.0037 -2.3360
|
|
Ag 3.18597 4.19479 0.72736 -0.0027 -0.0027 -0.0027 -2.4935
|
|
Ag -0.21679 -2.94122 2.62074 0.0015 0.0015 0.0015 -2.5493
|
|
Ag -6.96816 3.60185 -0.20591 0.0017 0.0017 0.0017 -2.0192
|
|
Ag -1.06717 -0.70607 -0.07590 0.0007 0.0007 0.0007 -2.6430
|
|
Ag 2.79559 4.57883 3.95637 0.0039 0.0039 0.0039 -2.2388
|
|
Ag 0.24114 -0.92470 4.83886 -0.0029 -0.0029 -0.0029 -2.3509
|
|
Ag -3.82902 -0.08359 -2.21043 0.0042 0.0042 0.0042 -2.4719
|
|
Ag -1.24653 2.83822 -5.76330 -0.0005 -0.0005 -0.0005 -2.1771
|
|
Ag -0.71913 2.37237 -2.99600 0.0003 0.0003 0.0003 -2.7278
|
|
Ag -0.36130 -5.58053 3.21268 0.0059 0.0059 0.0059 -2.2588
|
|
Ag 4.59547 -0.21166 0.14581 0.0002 0.0002 0.0002 -2.2095
|
|
Ag 1.81980 -3.27257 -5.22684 -0.0017 -0.0017 -0.0017 -2.1130
|
|
Ag 1.01743 -5.09786 0.82738 0.0010 0.0010 0.0010 -2.5044
|
|
Ag 4.77422 2.88936 3.00078 0.0061 0.0061 0.0061 -2.2731
|
|
Ag -5.19880 1.85667 -0.85783 -0.0050 -0.0050 -0.0050 -2.4129
|
|
Ag 4.12783 0.56933 -2.18464 0.0036 0.0036 0.0036 -2.2647
|
|
Ag 3.54852 -1.88475 5.33434 0.0002 0.0002 0.0002 -1.9397
|
|
Ag 0.19623 4.74417 -3.76131 0.0032 0.0032 0.0032 -2.3750
|
|
Ag 0.60114 4.06148 -0.77478 -0.0086 -0.0086 -0.0086 -2.7960
|
|
Ag -2.22315 3.10881 -0.77234 0.0048 0.0048 0.0048 -2.6597
|
|
Ag 3.58817 -4.19485 2.90431 -0.0034 -0.0034 -0.0034 -2.3744
|
|
Ag -0.98597 -5.91676 -5.58389 -0.0015 -0.0015 -0.0015 -1.9730
|
|
Ag 1.02849 3.78959 2.38690 -0.0001 -0.0001 -0.0001 -2.5640
|
|
Ag 1.57654 -3.96160 4.66176 0.0027 0.0027 0.0027 -2.3556
|
|
Ag -2.74401 -2.04117 2.48368 -0.0049 -0.0049 -0.0049 -2.4941
|
|
Ag -7.15750 2.85347 -2.60748 -0.0066 -0.0066 -0.0066 -1.9119
|
|
Ag -0.01572 6.04730 3.37633 -0.0055 -0.0055 -0.0055 -1.9294
|
|
Ag -4.23185 0.11659 3.17745 0.0021 0.0021 0.0021 -1.9686
|
|
Ag 2.19327 1.67837 3.63003 -0.0010 -0.0010 -0.0010 -2.5846
|
|
Ag 0.38175 7.24896 -1.44041 -0.0070 -0.0070 -0.0070 -2.1718
|
|
Ag -1.24305 -3.08944 -5.56165 -0.0065 -0.0065 -0.0065 -2.3238
|
|
Ag 1.46727 -5.68612 -3.86280 -0.0023 -0.0023 -0.0023 -2.1395
|
|
Ag -0.08364 1.74181 0.45444 -0.0035 -0.0035 -0.0035 -2.7558
|
|
Ag -3.49420 3.47544 4.06602 0.0033 0.0033 0.0033 -1.8778
|
|
Ag 1.41914 0.90992 -1.79697 -0.0011 -0.0011 -0.0011 -2.5701
|
|
Ag -1.37282 5.92554 0.49706 -0.0023 -0.0023 -0.0023 -2.4153
|
|
Ag 4.01432 1.65608 -4.56290 -0.0050 -0.0050 -0.0050 -1.9892
|
|
Ag -0.53169 -0.13236 2.47967 -0.0017 -0.0017 -0.0017 -2.6405
|
|
Ag -2.68414 0.98906 -4.43440 0.0009 0.0009 0.0009 -2.4570
|
|
Ag 1.23094 2.14192 -4.84112 0.0023 0.0023 0.0023 -2.5064
|
|
Ag 2.72697 1.59728 0.98693 -0.0030 -0.0030 -0.0030 -2.6308
|
|
Ag -2.80131 -1.91076 -3.76376 0.0001 0.0001 0.0001 -2.4112
|
|
Ag -4.19653 -3.78377 1.02992 0.0010 0.0010 0.0010 -2.2204
|
|
Ag -3.07231 3.97161 1.47407 -0.0045 -0.0045 -0.0045 -2.4144
|
|
Ag 2.92828 -6.44546 -0.66807 0.0032 0.0032 0.0032 -2.0902
|
|
Ag 5.13967 2.66435 -0.13671 -0.0002 -0.0002 -0.0002 -2.1357
|
|
Ag 3.83717 2.66426 5.52248 0.0012 0.0012 0.0012 -2.1242
|
|
Ag -0.79293 -0.45558 -2.82280 -0.0024 -0.0024 -0.0024 -2.7131
|
|
Ag 1.83564 -0.76331 -4.37707 0.0035 0.0035 0.0035 -2.4226
|
|
Ag 2.38974 5.51185 -1.95159 -0.0015 -0.0015 -0.0015 -2.2620
|
|
Ag 0.21645 2.00479 5.28684 -0.0023 -0.0023 -0.0023 -2.1993
|
|
Ag -4.48814 4.72829 -1.03256 -0.0069 -0.0069 -0.0069 -2.3602
|
|
Ag 2.62886 2.79681 -2.77096 -0.0002 -0.0002 -0.0002 -2.3076
|
|
Ag 3.82264 -6.75584 1.63928 0.0002 0.0002 0.0002 -2.1123
|
|
Ag -2.66412 -5.60397 1.99806 0.0023 0.0023 0.0023 -2.0738
|
|
Ag 3.56949 -2.52607 0.86983 -0.0007 -0.0007 -0.0007 -2.3090
|
|
Ag -0.55410 -3.83440 -0.72723 0.0068 0.0068 0.0068 -2.5819
|
|
Ag 0.39155 -2.82153 -3.13344 0.0022 0.0022 0.0022 -2.5068
|
|
Ag 2.33544 -6.31027 3.75708 -0.0014 -0.0014 -0.0014 -2.1273
|
|
Ag 4.60240 -4.74306 -0.16551 -0.0014 -0.0014 -0.0014 -2.0688
|
|
Ag 1.74707 -0.59795 0.42109 0.0086 0.0086 0.0086 -2.4814
|