94 lines
9.1 KiB
Plaintext
94 lines
9.1 KiB
Plaintext
91
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -4.20058 -3.94649 2.69428 0.0001 0.0001 0.0001 -2.3317
|
|
Ag 6.13871 -1.78398 -3.74740 0.0086 0.0086 0.0086 -2.2809
|
|
Ag 1.96693 3.24139 -6.14326 -0.0028 -0.0028 -0.0028 -2.3339
|
|
Ag -0.33986 0.87225 -5.90842 0.0059 0.0059 0.0059 -2.5643
|
|
Ag -1.62429 3.24106 -5.16037 -0.0060 -0.0060 -0.0060 -2.4620
|
|
Ag -5.51571 0.98098 3.67187 0.0024 0.0024 0.0024 -2.7276
|
|
Ag 1.72245 -3.73133 -3.33692 -0.0067 -0.0067 -0.0067 -2.5580
|
|
Ag 4.28667 -1.05550 4.83717 -0.0043 -0.0043 -0.0043 -2.2524
|
|
Ag -6.75635 0.81212 0.98526 -0.0007 -0.0007 -0.0007 -2.3453
|
|
Ag -2.42019 -2.01280 3.81149 -0.0033 -0.0033 -0.0033 -2.7273
|
|
Ag 0.99843 2.80070 4.90701 0.0023 0.0023 0.0023 -2.1888
|
|
Ag -1.84573 -4.12383 1.31067 -0.0033 -0.0033 -0.0033 -2.3273
|
|
Ag -3.36790 -1.88506 -2.80636 0.0034 0.0034 0.0034 -2.3632
|
|
Ag -1.17405 3.48683 2.11675 0.0054 0.0054 0.0054 -2.5174
|
|
Ag -7.09754 -1.22890 2.77940 0.0009 0.0009 0.0009 -2.1881
|
|
Ag 1.00794 6.14579 -1.54705 -0.0050 -0.0050 -0.0050 -2.2743
|
|
Ag 0.14036 -4.55008 6.86432 -0.0042 -0.0042 -0.0042 -2.0774
|
|
Ag -0.89192 -0.54821 -2.35408 0.0010 0.0010 0.0010 -2.8304
|
|
Ag 2.17329 -0.22364 -6.36913 0.0002 0.0002 0.0002 -2.4318
|
|
Ag 4.14723 -0.36036 1.24912 -0.0012 -0.0012 -0.0012 -2.5310
|
|
Ag 0.02684 -1.88867 2.89872 -0.0005 -0.0005 -0.0005 -2.7013
|
|
Ag -5.38769 2.69814 -0.72651 0.0107 0.0107 0.0107 -2.4273
|
|
Ag 0.52109 0.65633 -8.39242 0.0041 0.0041 0.0041 -1.9619
|
|
Ag 4.25795 -3.77898 0.74062 0.0021 0.0021 0.0021 -2.4339
|
|
Ag 0.59857 4.66955 -4.32154 -0.0063 -0.0063 -0.0063 -2.5552
|
|
Ag -1.05546 -1.61487 -4.92077 0.0053 0.0053 0.0053 -2.3513
|
|
Ag -2.96134 1.62825 -1.28713 0.0007 0.0007 0.0007 -2.6052
|
|
Ag -2.09819 -0.66990 0.19466 0.0008 0.0008 0.0008 -2.6687
|
|
Ag -3.49044 3.67259 -2.73750 0.0016 0.0016 0.0016 -2.3815
|
|
Ag 4.20291 1.94911 -6.77102 0.0018 0.0018 0.0018 -2.0777
|
|
Ag -1.34812 2.45754 -8.12752 0.0044 0.0044 0.0044 -1.9257
|
|
Ag -3.55400 -2.75098 0.12790 0.0012 0.0012 0.0012 -2.3023
|
|
Ag -0.56861 2.53375 -2.75323 0.0005 0.0005 0.0005 -2.7526
|
|
Ag -0.82807 -4.25017 4.30796 -0.0030 -0.0030 -0.0030 -2.5855
|
|
Ag 2.55642 -2.01640 -0.61382 0.0017 0.0017 0.0017 -2.8124
|
|
Ag 6.76958 0.83015 -2.69703 -0.0009 -0.0009 -0.0009 -2.1584
|
|
Ag -4.42565 -1.12561 2.11772 -0.0045 -0.0045 -0.0045 -2.7083
|
|
Ag 3.13715 -5.86499 -2.40068 0.0009 0.0009 0.0009 -2.1201
|
|
Ag -1.33976 5.24086 -6.72523 -0.0013 -0.0013 -0.0013 -1.9359
|
|
Ag -7.02626 -0.38924 5.59592 -0.0040 -0.0040 -0.0040 -2.1978
|
|
Ag -5.81356 3.21353 1.89989 -0.0031 -0.0031 -0.0031 -2.3373
|
|
Ag -0.98011 -3.49775 -3.06290 0.0028 0.0028 0.0028 -2.2530
|
|
Ag -1.47394 4.58483 -1.24832 -0.0053 -0.0053 -0.0053 -2.6076
|
|
Ag 0.99442 -4.38494 2.22523 -0.0045 -0.0045 -0.0045 -2.4764
|
|
Ag 4.46275 -3.52341 -2.07008 0.0052 0.0052 0.0052 -2.5873
|
|
Ag 3.11495 4.67641 0.13807 -0.0043 -0.0043 -0.0043 -2.3807
|
|
Ag 5.49027 -2.22781 2.53871 0.0009 0.0009 0.0009 -2.3747
|
|
Ag -3.45265 1.30559 1.62532 -0.0042 -0.0042 -0.0042 -2.8183
|
|
Ag 3.59008 -2.20707 -4.97921 0.0068 0.0068 0.0068 -2.4382
|
|
Ag 1.83320 0.27072 2.57660 0.0054 0.0054 0.0054 -2.4427
|
|
Ag 1.33308 -2.66644 5.09092 -0.0066 -0.0066 -0.0066 -2.6083
|
|
Ag 4.24616 3.35815 -4.64623 0.0044 0.0044 0.0044 -2.3219
|
|
Ag 3.57574 2.91763 4.18865 0.0062 0.0062 0.0062 -2.1558
|
|
Ag -0.12080 -2.62017 -0.40474 -0.0033 -0.0033 -0.0033 -2.6329
|
|
Ag 1.78865 0.61036 -1.52740 0.0032 0.0032 0.0032 -2.7911
|
|
Ag -2.46567 0.78390 -4.06335 0.0012 0.0012 0.0012 -2.5945
|
|
Ag -0.92133 1.75705 0.10535 -0.0006 -0.0006 -0.0006 -2.6357
|
|
Ag 5.49155 0.81500 -0.56038 -0.0034 -0.0034 -0.0034 -2.0358
|
|
Ag 4.48938 -4.59458 -4.46357 0.0031 0.0031 0.0031 -2.1019
|
|
Ag 2.26185 -4.94593 5.23958 0.0069 0.0069 0.0069 -2.0644
|
|
Ag -5.25816 -1.38951 7.56063 0.0022 0.0022 0.0022 -2.1112
|
|
Ag 2.33052 0.51325 5.45218 -0.0062 -0.0062 -0.0062 -2.3130
|
|
Ag -3.54769 3.14150 3.55322 0.0047 0.0047 0.0047 -2.3661
|
|
Ag 3.15483 2.01369 0.50455 0.0018 0.0018 0.0018 -2.6546
|
|
Ag 0.66752 5.49915 0.99408 -0.0040 -0.0040 -0.0040 -2.2866
|
|
Ag -4.88634 -1.72065 4.85919 0.0036 0.0036 0.0036 -2.6836
|
|
Ag 3.07292 4.79272 -2.54055 0.0012 0.0012 0.0012 -2.4504
|
|
Ag -0.61009 1.11473 3.12000 0.0063 0.0063 0.0063 -2.6850
|
|
Ag -2.83214 0.71574 4.69819 -0.0009 -0.0009 -0.0009 -2.6391
|
|
Ag 1.09625 3.32929 -1.00654 -0.0007 -0.0007 -0.0007 -2.7738
|
|
Ag 4.47783 0.53340 -4.56470 0.0013 0.0013 0.0013 -2.6345
|
|
Ag 4.33870 2.47829 -2.06908 0.0032 0.0032 0.0032 -2.5953
|
|
Ag -5.07472 0.44723 -3.16186 -0.0038 -0.0038 -0.0038 -2.1293
|
|
Ag 2.73824 -2.18097 2.46304 -0.0006 -0.0006 -0.0006 -2.7031
|
|
Ag -2.76308 -1.45740 6.58449 -0.0005 -0.0005 -0.0005 -2.5206
|
|
Ag 5.51351 1.23779 3.97370 -0.0008 -0.0008 -0.0008 -1.8925
|
|
Ag -2.32906 5.43617 -4.07806 -0.0082 -0.0082 -0.0082 -2.1538
|
|
Ag -0.19184 -2.07748 7.28881 0.0022 0.0022 0.0022 -2.1207
|
|
Ag -0.56407 -0.59615 5.17727 -0.0012 -0.0012 -0.0012 -2.5254
|
|
Ag 6.20862 -1.59956 -0.14775 0.0002 0.0002 0.0002 -2.3424
|
|
Ag -4.70556 -0.15096 -0.37758 -0.0016 -0.0016 -0.0016 -2.6046
|
|
Ag -3.42140 3.67846 0.47532 0.0009 0.0009 0.0009 -2.5253
|
|
Ag 2.03331 2.15535 -3.75341 -0.0001 -0.0001 -0.0001 -2.7448
|
|
Ag -3.59777 -4.22743 5.26026 -0.0027 -0.0027 -0.0027 -2.1773
|
|
Ag 1.71828 3.43600 2.32507 0.0024 0.0024 0.0024 -2.5394
|
|
Ag 1.66330 -4.70750 -0.53917 0.0023 0.0023 0.0023 -2.4126
|
|
Ag 0.51764 -0.36299 0.63038 -0.0018 -0.0018 -0.0018 -2.3604
|
|
Ag -4.69651 1.06058 6.58971 0.0001 0.0001 0.0001 -2.2258
|
|
Ag 1.37184 -1.06828 -3.95306 -0.0003 -0.0003 -0.0003 -2.6401
|
|
Ag 4.31094 -0.59471 -2.16202 0.0018 0.0018 0.0018 -2.6454
|
|
Ag 4.18286 -3.49464 4.57568 0.0001 0.0001 0.0001 -2.1387
|