91 lines
8.8 KiB
Plaintext
91 lines
8.8 KiB
Plaintext
88
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -4.01558 1.55647 -3.80622 0.0017 0.0017 0.0017 -2.1939
|
|
Ag 0.13428 -0.10115 3.34738 0.0044 0.0044 0.0044 -2.6909
|
|
Ag 3.81859 -2.60632 3.57179 0.0007 0.0007 0.0007 -2.3995
|
|
Ag 2.81819 1.74998 -6.62389 0.0002 0.0002 0.0002 -2.2360
|
|
Ag 0.27443 6.05964 -3.06240 -0.0048 -0.0048 -0.0048 -2.1960
|
|
Ag 2.63088 5.13963 -2.76141 0.0006 0.0006 0.0006 -2.3457
|
|
Ag -3.29843 -2.59032 4.18470 -0.0050 -0.0050 -0.0050 -2.2400
|
|
Ag -3.97049 -4.69200 0.70090 0.0063 0.0063 0.0063 -2.4400
|
|
Ag -3.40450 0.08768 2.66781 0.0089 0.0089 0.0089 -2.6643
|
|
Ag -1.29551 -2.48228 -3.14316 0.0036 0.0036 0.0036 -2.6686
|
|
Ag -4.62323 -1.41652 -3.67750 0.0054 0.0054 0.0054 -2.3752
|
|
Ag 5.78528 -0.26970 -0.28861 -0.0046 -0.0046 -0.0046 -2.4180
|
|
Ag -5.90171 0.35534 1.14678 -0.0015 -0.0015 -0.0015 -2.4389
|
|
Ag -0.06202 0.78708 -6.00211 -0.0063 -0.0063 -0.0063 -2.4060
|
|
Ag 1.17131 -0.15295 0.54653 0.0063 0.0063 0.0063 -2.6419
|
|
Ag -6.19809 -1.19705 -1.46302 0.0036 0.0036 0.0036 -2.4019
|
|
Ag -0.28977 4.37186 -1.09915 0.0058 0.0058 0.0058 -2.4608
|
|
Ag 6.67335 2.18282 1.68010 0.0066 0.0066 0.0066 -2.0059
|
|
Ag -2.27795 4.15343 0.52907 0.0001 0.0001 0.0001 -2.1903
|
|
Ag 4.77360 -0.06712 -6.04428 0.0000 0.0000 0.0000 -1.9911
|
|
Ag 1.11257 2.05184 -1.01312 0.0060 0.0060 0.0060 -2.7182
|
|
Ag -0.76594 -3.17958 -0.48792 -0.0017 -0.0017 -0.0017 -2.6442
|
|
Ag 2.76385 -4.93931 2.33297 -0.0008 -0.0008 -0.0008 -2.3078
|
|
Ag -3.71203 -4.02717 -3.91647 -0.0011 -0.0011 -0.0011 -2.3045
|
|
Ag 0.26814 -1.66716 -5.22450 -0.0051 -0.0051 -0.0051 -2.4103
|
|
Ag 1.35081 -4.41379 4.60070 0.0036 0.0036 0.0036 -2.2793
|
|
Ag -7.61679 -1.20376 1.97829 -0.0027 -0.0027 -0.0027 -1.9973
|
|
Ag -6.39623 -3.75233 -3.01864 0.0008 0.0008 0.0008 -2.2457
|
|
Ag -3.21124 0.80051 7.69150 0.0028 0.0028 0.0028 -1.7201
|
|
Ag 0.80951 7.13316 4.31960 -0.0022 -0.0022 -0.0022 -1.5916
|
|
Ag -0.92876 -1.94026 5.52426 0.0027 0.0027 0.0027 -2.3421
|
|
Ag -3.96112 2.44608 1.49887 0.0012 0.0012 0.0012 -2.2760
|
|
Ag 0.35316 3.90092 4.52367 -0.0062 -0.0062 -0.0062 -2.4385
|
|
Ag 3.49269 3.82452 -4.73956 0.0059 0.0059 0.0059 -2.3019
|
|
Ag 3.53548 -1.78000 0.34962 -0.0048 -0.0048 -0.0048 -2.5070
|
|
Ag -5.82096 -0.49619 3.93567 -0.0010 -0.0010 -0.0010 -2.3045
|
|
Ag -6.30208 -3.42701 -0.07195 -0.0007 -0.0007 -0.0007 -2.4176
|
|
Ag 1.07780 5.08361 -5.39619 -0.0057 -0.0057 -0.0057 -2.1789
|
|
Ag -5.13907 -5.66835 -1.71944 -0.0025 -0.0025 -0.0025 -2.3794
|
|
Ag 7.15698 -1.09048 -2.32336 0.0014 0.0014 0.0014 -1.9605
|
|
Ag 3.45364 4.86371 3.55384 0.0031 0.0031 0.0031 -2.2495
|
|
Ag 5.17239 0.26238 -3.63802 0.0030 0.0030 0.0030 -2.2979
|
|
Ag -1.92957 -2.70581 1.82294 0.0048 0.0048 0.0048 -2.6013
|
|
Ag 1.54428 -2.41509 -2.47594 0.0009 0.0009 0.0009 -2.6810
|
|
Ag 0.47872 4.75728 2.05379 0.0018 0.0018 0.0018 -2.5681
|
|
Ag -1.74005 1.82245 -2.67325 -0.0030 -0.0030 -0.0030 -2.4665
|
|
Ag 1.56751 -1.84093 4.91549 -0.0018 -0.0018 -0.0018 -2.3993
|
|
Ag 1.13945 1.09700 6.00308 0.0013 0.0013 0.0013 -2.3007
|
|
Ag -5.14073 -2.20788 2.11113 0.0043 0.0043 0.0043 -2.5813
|
|
Ag 4.60291 2.22302 3.29369 0.0007 0.0007 0.0007 -2.5260
|
|
Ag 3.65832 -2.10242 -4.20591 0.0008 0.0008 0.0008 -2.4291
|
|
Ag -1.84570 2.62603 -5.27873 0.0020 0.0020 0.0020 -2.2632
|
|
Ag 0.85348 7.24804 1.45278 -0.0019 -0.0019 -0.0019 -2.0195
|
|
Ag -1.24982 -4.29902 4.05917 -0.0031 -0.0031 -0.0031 -2.2709
|
|
Ag 1.57870 7.32907 -1.01138 -0.0046 -0.0046 -0.0046 -2.0800
|
|
Ag 3.03895 2.94127 5.53392 0.0040 0.0040 0.0040 -2.3180
|
|
Ag 2.41718 0.37325 -4.41741 0.0008 0.0008 0.0008 -2.6639
|
|
Ag 5.09166 -2.63956 -1.59347 0.0024 0.0024 0.0024 -2.4057
|
|
Ag 1.43743 -3.90746 -4.68082 -0.0051 -0.0051 -0.0051 -2.1297
|
|
Ag -3.58834 -1.06400 0.25286 0.0007 0.0007 0.0007 -2.5980
|
|
Ag 4.75456 -0.33988 2.30185 -0.0020 -0.0020 -0.0020 -2.4950
|
|
Ag -3.61988 2.37734 5.66754 0.0087 0.0087 0.0087 -2.0397
|
|
Ag -2.57415 -5.72687 -2.16312 0.0018 0.0018 0.0018 -2.4221
|
|
Ag 0.72125 3.24686 -6.88073 0.0079 0.0079 0.0079 -2.0981
|
|
Ag -0.50313 -6.47318 -0.51939 0.0019 0.0019 0.0019 -2.0790
|
|
Ag -1.42809 1.82851 4.38185 0.0007 0.0007 0.0007 -2.5697
|
|
Ag -3.17500 -0.38188 5.24830 0.0064 0.0064 0.0064 -2.2807
|
|
Ag 3.91831 2.91396 -2.04209 0.0061 0.0061 0.0061 -2.4112
|
|
Ag -1.91205 -0.07744 -4.26336 0.0023 0.0023 0.0023 -2.4904
|
|
Ag 0.35914 -4.43570 1.97760 0.0121 0.0121 0.0121 -2.4406
|
|
Ag 1.02881 3.13756 -3.50735 -0.0066 -0.0066 -0.0066 -2.7385
|
|
Ag 0.16527 -4.90558 -2.55289 -0.0085 -0.0085 -0.0085 -2.4055
|
|
Ag 5.58457 4.56475 1.96590 -0.0002 -0.0002 -0.0002 -1.9391
|
|
Ag 2.19582 -3.77083 0.03787 -0.0001 -0.0001 -0.0001 -2.3924
|
|
Ag 1.83589 2.21592 3.18443 0.0051 0.0051 0.0051 -2.7604
|
|
Ag -1.28205 0.18547 -0.55049 -0.0030 -0.0030 -0.0030 -2.6006
|
|
Ag 1.52512 -2.18394 2.21893 -0.0012 -0.0012 -0.0012 -2.6718
|
|
Ag -0.80961 2.14979 1.75642 -0.0005 -0.0005 -0.0005 -2.7273
|
|
Ag 4.62434 -4.56254 0.38945 0.0005 0.0005 0.0005 -2.0786
|
|
Ag 2.16585 4.66911 -0.08720 -0.0031 -0.0031 -0.0031 -2.5174
|
|
Ag -3.34073 -7.42341 -0.31735 -0.0010 -0.0010 -0.0010 -1.9879
|
|
Ag -1.97227 4.40856 3.43665 -0.0026 -0.0026 -0.0026 -2.3035
|
|
Ag 0.41520 0.10781 -2.78124 0.0013 0.0013 0.0013 -2.7179
|
|
Ag 3.40419 1.54609 0.76773 -0.0038 -0.0038 -0.0038 -2.6969
|
|
Ag -3.72216 -3.09194 -1.50959 0.0014 0.0014 0.0014 -2.7483
|
|
Ag -4.23517 1.01893 -1.15518 0.0069 0.0069 0.0069 -2.4487
|
|
Ag 3.18929 0.20761 4.42260 0.0039 0.0039 0.0039 -2.5274
|
|
Ag 3.51154 0.08456 -1.57742 -0.0084 -0.0084 -0.0084 -2.6835
|