85 lines
8.2 KiB
Plaintext
85 lines
8.2 KiB
Plaintext
82
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 5.01882 -49.14194 -13.00974 0.0028 0.0028 0.0028 -2.8879
|
|
Ag 2.41845 -50.18683 -13.34910 0.0024 0.0024 0.0024 -2.7768
|
|
Ag 4.64863 -46.65752 -11.60750 0.0004 0.0004 0.0004 -2.7250
|
|
Ag 6.53170 -49.06271 -15.55196 -0.0033 -0.0033 -0.0033 -2.8118
|
|
Ag 7.82646 -51.42072 -14.92353 -0.0014 -0.0014 -0.0014 -2.8562
|
|
Ag 6.10255 -53.59223 -10.92722 0.0013 0.0013 0.0013 -2.8619
|
|
Ag 2.61187 -47.51465 -13.51682 -0.0032 -0.0032 -0.0032 -2.8104
|
|
Ag 6.11600 -53.49273 -13.69245 0.0004 0.0004 0.0004 -2.8489
|
|
Ag 5.17190 -46.84065 -14.56621 0.0002 0.0002 0.0002 -2.8823
|
|
Ag 4.17455 -51.89900 -12.09102 -0.0026 -0.0026 -0.0026 -2.9344
|
|
Ag 3.57739 -49.02348 -15.71197 -0.0014 -0.0014 -0.0014 -2.9576
|
|
Ag 6.35319 -48.39920 -10.49243 0.0008 0.0008 0.0008 -2.9002
|
|
Ag 7.65514 -48.29639 -13.17155 0.0015 0.0015 0.0015 -2.8817
|
|
Ag 5.40349 -51.01924 -9.60929 0.0006 0.0006 0.0006 -2.9432
|
|
Ag 4.75023 -48.44642 -8.08173 0.0006 0.0006 0.0006 -2.7375
|
|
Ag 8.17247 -49.44187 -17.67781 -0.0013 -0.0013 -0.0013 -2.4260
|
|
Ag 12.27092 -51.39225 -14.18182 0.0016 0.0016 0.0016 -2.2780
|
|
Ag 3.99911 -50.91423 -7.21686 0.0003 0.0003 0.0003 -2.4369
|
|
Ag 0.34301 -45.93036 -13.75138 -0.0038 -0.0038 -0.0038 -2.2945
|
|
Ag 7.74451 -55.98626 -14.05924 0.0018 0.0018 0.0018 -2.4306
|
|
Ag 5.77242 -44.39936 -15.66866 -0.0005 -0.0005 -0.0005 -2.3215
|
|
Ag 4.48435 -53.65335 -16.53695 0.0023 0.0023 0.0023 -2.4652
|
|
Ag 2.30509 -48.83204 -18.31876 0.0001 0.0001 0.0001 -2.2325
|
|
Ag 11.44741 -53.17113 -12.23438 0.0001 0.0001 0.0001 -2.4890
|
|
Ag 2.11508 -45.29827 -11.93280 -0.0034 -0.0034 -0.0034 -2.4818
|
|
Ag 4.27878 -44.40989 -10.42169 0.0021 0.0021 0.0021 -2.2819
|
|
Ag 9.50791 -52.14977 -7.63312 0.0004 0.0004 0.0004 -2.4582
|
|
Ag 9.89500 -54.05994 -10.07485 -0.0025 -0.0025 -0.0025 -2.5643
|
|
Ag 0.66821 -50.59006 -11.36214 -0.0010 -0.0010 -0.0010 -2.4588
|
|
Ag 1.52332 -47.12260 -15.90249 -0.0008 -0.0008 -0.0008 -2.5293
|
|
Ag 3.48607 -54.41749 -13.76681 0.0013 0.0013 0.0013 -2.5757
|
|
Ag 5.34843 -55.85291 -15.29864 -0.0008 -0.0008 -0.0008 -2.3053
|
|
Ag 1.90246 -49.41567 -8.62975 0.0002 0.0002 0.0002 -2.3044
|
|
Ag 2.52199 -52.19890 -15.05106 -0.0016 -0.0016 -0.0016 -2.6224
|
|
Ag 7.45858 -54.37132 -8.61520 -0.0012 -0.0012 -0.0012 -2.5509
|
|
Ag 6.93482 -50.97777 -12.21334 -0.0006 -0.0006 -0.0006 -2.9314
|
|
Ag 8.51163 -53.46982 -12.46583 0.0006 0.0006 0.0006 -2.8680
|
|
Ag 7.08023 -45.76700 -11.41536 -0.0005 -0.0005 -0.0005 -2.5722
|
|
Ag 9.56875 -46.50656 -11.80774 -0.0027 -0.0027 -0.0027 -2.4097
|
|
Ag 7.71333 -45.69089 -14.19839 0.0006 0.0006 0.0006 -2.5584
|
|
Ag 9.34720 -51.88022 -17.07410 -0.0018 -0.0018 -0.0018 -2.3332
|
|
Ag 7.52189 -53.89615 -15.98045 0.0007 0.0007 0.0007 -2.5702
|
|
Ag 10.12765 -49.53640 -8.26752 -0.0000 -0.0000 -0.0000 -2.4745
|
|
Ag 3.97727 -46.48230 -16.98551 -0.0016 -0.0016 -0.0016 -2.5315
|
|
Ag 10.36473 -50.01115 -15.51390 -0.0007 -0.0007 -0.0007 -2.4791
|
|
Ag 10.85418 -51.32847 -10.13162 0.0021 0.0021 0.0021 -2.6624
|
|
Ag 2.59037 -51.93351 -9.78309 0.0004 0.0004 0.0004 -2.6289
|
|
Ag 7.54106 -49.54943 -8.24420 -0.0001 -0.0001 -0.0001 -2.6851
|
|
Ag 1.01145 -50.20216 -16.32651 0.0004 0.0004 0.0004 -2.4874
|
|
Ag 10.02227 -53.37096 -14.80228 -0.0010 -0.0010 -0.0010 -2.6013
|
|
Ag 8.89011 -49.41330 -10.89892 -0.0004 -0.0004 -0.0004 -2.8368
|
|
Ag 7.95001 -55.79921 -11.01323 -0.0005 -0.0005 -0.0005 -2.5733
|
|
Ag 10.63661 -48.52441 -13.26271 0.0002 0.0002 0.0002 -2.5732
|
|
Ag 3.53888 -54.32003 -10.84976 -0.0007 -0.0007 -0.0007 -2.5207
|
|
Ag 0.15411 -48.68860 -13.94767 0.0000 0.0000 0.0000 -2.5382
|
|
Ag 1.49159 -53.00704 -12.48943 -0.0005 -0.0005 -0.0005 -2.4961
|
|
Ag 5.38932 -56.02972 -9.62018 -0.0007 -0.0007 -0.0007 -2.3354
|
|
Ag 7.04314 -47.46281 -6.88575 -0.0024 -0.0024 -0.0024 -2.3046
|
|
Ag 6.70485 -52.02161 -7.24153 -0.0010 -0.0010 -0.0010 -2.6532
|
|
Ag 5.47641 -55.88234 -12.37275 -0.0010 -0.0010 -0.0010 -2.5863
|
|
Ag 0.02950 -51.39730 -14.00102 -0.0014 -0.0014 -0.0014 -2.3423
|
|
Ag 6.27064 -51.63024 -17.32835 -0.0004 -0.0004 -0.0004 -2.6279
|
|
Ag 3.45071 -51.25693 -17.55439 0.0029 0.0029 0.0029 -2.5212
|
|
Ag 8.58161 -47.19999 -9.28521 -0.0005 -0.0005 -0.0005 -2.6513
|
|
Ag 6.77708 -46.67170 -16.93864 0.0006 0.0006 0.0006 -2.5301
|
|
Ag 11.17552 -48.23423 -10.41941 -0.0000 -0.0000 -0.0000 -2.4049
|
|
Ag 5.34633 -44.33038 -12.98746 0.0019 0.0019 0.0019 -2.4936
|
|
Ag 8.95480 -47.73240 -15.63313 -0.0011 -0.0011 -0.0011 -2.4987
|
|
Ag 5.01248 -51.30061 -14.81992 -0.0004 -0.0004 -0.0004 -2.8523
|
|
Ag 4.52364 -53.61245 -8.59947 -0.0024 -0.0024 -0.0024 -2.5107
|
|
Ag 5.24970 -48.94722 -18.03064 0.0001 0.0001 0.0001 -2.5363
|
|
Ag 2.89633 -46.70585 -9.44763 0.0024 0.0024 0.0024 -2.5312
|
|
Ag 8.09827 -51.94467 -9.91136 0.0008 0.0008 0.0008 -2.8707
|
|
Ag 9.90260 -51.04348 -12.86978 0.0018 0.0018 0.0018 -2.8287
|
|
Ag 12.62715 -49.98104 -11.76897 0.0005 0.0005 0.0005 -2.2598
|
|
Ag 10.24959 -55.50221 -12.57847 0.0017 0.0017 0.0017 -2.2929
|
|
Ag 3.15531 -44.93716 -14.53114 0.0025 0.0025 0.0025 -2.5622
|
|
Ag 3.60388 -49.14286 -10.62441 0.0023 0.0023 0.0023 -2.8481
|
|
Ag 8.66117 -50.16604 -5.98044 -0.0021 -0.0021 -0.0021 -2.2794
|
|
Ag 5.99885 -45.98792 -8.86290 -0.0014 -0.0014 -0.0014 -2.5079
|
|
Ag 6.00298 -49.73025 -5.83777 0.0009 0.0009 0.0009 -2.3577
|
|
Ag 0.94134 -47.62550 -11.32600 -0.0020 -0.0020 -0.0020 -2.5073
|