61 lines
5.8 KiB
Plaintext
61 lines
5.8 KiB
Plaintext
58
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 4.26422 -4.12704 -1.88614 0.0015 0.0015 0.0015 -2.0777
|
|
Ag -4.18252 4.61313 -1.15361 0.0000 0.0000 0.0000 -2.0809
|
|
Ag -1.89867 2.51620 -4.32639 0.0037 0.0037 0.0037 -1.8834
|
|
Ag 5.80727 -3.15469 -0.36298 0.0004 0.0004 0.0004 -2.1360
|
|
Ag 4.69991 1.10183 -0.11132 -0.0006 -0.0006 -0.0006 -2.4565
|
|
Ag 1.70297 -1.62056 0.52903 0.0078 0.0078 0.0078 -2.5072
|
|
Ag -2.62033 0.57581 0.38948 0.0018 0.0018 0.0018 -2.8113
|
|
Ag 3.91851 -0.30137 -3.38284 -0.0005 -0.0005 -0.0005 -2.3282
|
|
Ag 0.29352 3.18792 2.35965 0.0046 0.0046 0.0046 -2.5511
|
|
Ag 1.41869 -0.39321 -2.17624 -0.0066 -0.0066 -0.0066 -2.8409
|
|
Ag -2.16998 -2.29307 0.06816 -0.0028 -0.0028 -0.0028 -2.5165
|
|
Ag -0.05662 -1.25009 4.42537 -0.0007 -0.0007 -0.0007 -2.2743
|
|
Ag 3.86908 -1.54873 -1.01660 -0.0027 -0.0027 -0.0027 -2.7155
|
|
Ag -4.31360 0.61208 3.78206 -0.0039 -0.0039 -0.0039 -2.2818
|
|
Ag 2.63948 0.56154 -5.28531 0.0026 0.0026 0.0026 -2.0250
|
|
Ag -1.63006 3.81214 0.02343 0.0005 0.0005 0.0005 -2.4108
|
|
Ag -0.50827 -0.71897 1.54591 -0.0011 -0.0011 -0.0011 -2.6623
|
|
Ag 2.90282 2.49609 -1.56862 0.0002 0.0002 0.0002 -2.2890
|
|
Ag 5.37080 -2.59324 -3.59519 -0.0011 -0.0011 -0.0011 -2.2177
|
|
Ag -1.11001 -2.36707 -2.45634 -0.0066 -0.0066 -0.0066 -2.5275
|
|
Ag -1.98760 -5.40760 -5.46357 -0.0015 -0.0015 -0.0015 -1.1614
|
|
Ag -5.03698 -0.30764 1.18407 0.0053 0.0053 0.0053 -2.4341
|
|
Ag 5.19992 -2.22377 2.75214 0.0019 0.0019 0.0019 -2.0876
|
|
Ag 2.32925 -1.95058 3.31590 -0.0011 -0.0011 -0.0011 -2.3048
|
|
Ag 6.49629 -0.48807 1.26428 0.0003 0.0003 0.0003 -2.2703
|
|
Ag -2.42786 2.26681 6.70203 0.0010 0.0010 0.0010 -1.7944
|
|
Ag 2.92058 -3.95741 0.34600 -0.0054 -0.0054 -0.0054 -2.2698
|
|
Ag -1.20040 0.39772 -2.97952 -0.0031 -0.0031 -0.0031 -2.2143
|
|
Ag -0.38172 -4.41291 -0.65801 -0.0014 -0.0014 -0.0014 -2.1197
|
|
Ag 1.58931 0.97971 0.43213 -0.0074 -0.0074 -0.0074 -2.7048
|
|
Ag 0.99406 4.33876 -1.47845 -0.0012 -0.0012 -0.0012 -1.8908
|
|
Ag 6.28606 -0.66396 -1.61041 -0.0010 -0.0010 -0.0010 -2.3326
|
|
Ag -0.79812 -3.38855 2.19879 0.0016 0.0016 0.0016 -2.2268
|
|
Ag -0.46209 1.59807 -1.13614 -0.0025 -0.0025 -0.0025 -2.2626
|
|
Ag -1.03121 5.44883 2.85872 0.0042 0.0042 0.0042 -1.9936
|
|
Ag 1.12739 0.59561 3.21679 -0.0068 -0.0068 -0.0068 -2.6565
|
|
Ag -1.59563 0.84986 3.53313 0.0004 0.0004 0.0004 -2.6594
|
|
Ag 3.48945 -0.35948 1.74731 0.0018 0.0018 0.0018 -2.5351
|
|
Ag 1.19672 3.72163 4.65937 0.0018 0.0018 0.0018 -2.1720
|
|
Ag 4.42492 1.20404 4.76022 -0.0024 -0.0024 -0.0024 -1.7989
|
|
Ag -5.32868 4.74577 1.46337 0.0020 0.0020 0.0020 -2.0248
|
|
Ag -4.98914 0.67335 -1.43843 -0.0045 -0.0045 -0.0045 -2.3035
|
|
Ag 1.43404 -3.45921 -2.47334 -0.0012 -0.0012 -0.0012 -2.5557
|
|
Ag -4.66407 2.59098 0.39321 -0.0012 -0.0012 -0.0012 -2.4538
|
|
Ag -7.05290 1.58501 1.00926 -0.0027 -0.0027 -0.0027 -2.0310
|
|
Ag 5.47325 1.60725 2.30956 0.0084 0.0084 0.0084 -2.1690
|
|
Ag 3.00167 -2.34418 -4.58458 0.0032 0.0032 0.0032 -2.3667
|
|
Ag 0.25237 -1.33269 -4.72221 -0.0014 -0.0014 -0.0014 -2.4199
|
|
Ag -5.95206 2.49058 3.02533 -0.0059 -0.0059 -0.0059 -2.1565
|
|
Ag 0.07823 1.76872 5.84234 -0.0050 -0.0050 -0.0050 -2.2320
|
|
Ag 3.11703 2.71384 2.75828 0.0087 0.0087 0.0087 -2.4090
|
|
Ag -2.81182 2.47082 -1.68856 -0.0016 -0.0016 -0.0016 -2.3640
|
|
Ag -2.80557 -1.41822 2.76469 0.0041 0.0041 0.0041 -2.4934
|
|
Ag -3.76264 -1.48648 -2.23541 0.0014 0.0014 0.0014 -2.0484
|
|
Ag 0.98881 1.89694 -3.71901 -0.0073 -0.0073 -0.0073 -2.4635
|
|
Ag -1.47378 3.82428 4.84608 0.0043 0.0043 0.0043 -2.3490
|
|
Ag 0.41274 -4.02533 -4.83896 0.0013 0.0013 0.0013 -2.1128
|
|
Ag -2.90233 2.89341 2.38674 0.0012 0.0012 0.0012 -2.6548
|