93 lines
9.0 KiB
Plaintext
93 lines
9.0 KiB
Plaintext
90
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 4.57984 -0.53934 3.51981 -0.0075 -0.0075 -0.0075 -2.5045
|
|
Ag -4.11647 -0.39896 2.79513 -0.0000 -0.0000 -0.0000 -2.7274
|
|
Ag 2.27400 3.77609 3.59078 -0.0004 -0.0004 -0.0004 -2.4956
|
|
Ag 1.15465 -5.07493 -0.57446 0.0029 0.0029 0.0029 -2.2480
|
|
Ag -5.89341 2.75664 -3.40733 0.0042 0.0042 0.0042 -2.1422
|
|
Ag -1.68779 -5.18879 0.28593 0.0021 0.0021 0.0021 -2.4806
|
|
Ag -4.84980 -1.33532 0.27039 0.0026 0.0026 0.0026 -2.7081
|
|
Ag -3.15242 0.49993 5.19920 -0.0036 -0.0036 -0.0036 -2.4202
|
|
Ag 5.60838 -2.57680 -0.06060 -0.0004 -0.0004 -0.0004 -2.3711
|
|
Ag -6.94824 -1.26993 2.42204 0.0036 0.0036 0.0036 -2.2854
|
|
Ag 0.00842 3.83471 -5.93365 -0.0084 -0.0084 -0.0084 -2.0798
|
|
Ag 1.70209 0.68788 -0.67443 -0.0090 -0.0090 -0.0090 -2.7509
|
|
Ag 3.46214 -3.84560 -0.63876 -0.0011 -0.0011 -0.0011 -2.3779
|
|
Ag 5.39232 -1.41895 -2.53454 -0.0104 -0.0104 -0.0104 -2.3991
|
|
Ag -2.52482 -4.72758 3.00565 -0.0043 -0.0043 -0.0043 -2.3419
|
|
Ag 2.98853 -4.14452 -4.41668 0.0017 0.0017 0.0017 -2.0075
|
|
Ag -2.00774 2.00044 -5.74654 -0.0037 -0.0037 -0.0037 -2.0643
|
|
Ag 5.02011 4.28067 2.96301 -0.0028 -0.0028 -0.0028 -2.4930
|
|
Ag 0.73577 -4.05579 -3.16695 0.0075 0.0075 0.0075 -2.4190
|
|
Ag 1.89787 0.16330 3.00014 -0.0010 -0.0010 -0.0010 -2.8835
|
|
Ag 3.98583 1.92951 4.53140 -0.0009 -0.0009 -0.0009 -2.4364
|
|
Ag -4.00916 -6.25963 -1.72472 0.0010 0.0010 0.0010 -1.9414
|
|
Ag -1.95199 -4.42464 -2.26458 0.0055 0.0055 0.0055 -2.5946
|
|
Ag -2.71791 2.53181 2.73057 -0.0024 -0.0024 -0.0024 -2.6410
|
|
Ag 2.59922 -1.94983 1.37141 -0.0048 -0.0048 -0.0048 -2.6244
|
|
Ag -6.43391 -2.01103 -2.25045 -0.0020 -0.0020 -0.0020 -2.4538
|
|
Ag -1.63585 3.41880 5.00654 -0.0049 -0.0049 -0.0049 -2.2561
|
|
Ag 2.55877 5.90075 2.05417 0.0060 0.0060 0.0060 -2.3164
|
|
Ag -6.75497 -3.33463 0.53378 0.0007 0.0007 0.0007 -2.3475
|
|
Ag -0.32699 -4.03537 4.88980 -0.0037 -0.0037 -0.0037 -2.0318
|
|
Ag 6.60215 0.24484 -0.82323 0.0007 0.0007 0.0007 -2.4724
|
|
Ag -4.43916 -3.64566 -1.36327 0.0054 0.0054 0.0054 -2.6708
|
|
Ag 2.04200 3.53008 -1.25750 0.0046 0.0046 0.0046 -2.5410
|
|
Ag -5.17399 1.97992 1.91476 0.0051 0.0051 0.0051 -2.3527
|
|
Ag -3.01203 -2.93939 1.01938 -0.0017 -0.0017 -0.0017 -2.5699
|
|
Ag -5.40612 -3.43120 2.83442 -0.0010 -0.0010 -0.0010 -2.4342
|
|
Ag -1.98496 -3.64630 -5.04499 -0.0041 -0.0041 -0.0041 -1.8654
|
|
Ag 3.16594 2.36192 1.52696 -0.0022 -0.0022 -0.0022 -2.8064
|
|
Ag -0.01527 -0.39125 1.02557 0.0002 0.0002 0.0002 -2.6769
|
|
Ag 2.01971 -1.51708 -4.75946 -0.0007 -0.0007 -0.0007 -2.5051
|
|
Ag 8.05114 -0.40148 -2.94544 -0.0004 -0.0004 -0.0004 -1.8582
|
|
Ag -5.17694 -1.16176 5.12549 0.0049 0.0049 0.0049 -2.1066
|
|
Ag -2.26379 -1.70528 -1.25745 -0.0003 -0.0003 -0.0003 -2.7633
|
|
Ag 0.12419 2.22918 1.73158 -0.0012 -0.0012 -0.0012 -2.7878
|
|
Ag -0.21101 4.67215 3.01187 -0.0042 -0.0042 -0.0042 -2.2866
|
|
Ag 3.02902 6.80409 -0.38495 -0.0005 -0.0005 -0.0005 -1.7701
|
|
Ag 0.11597 -0.37695 5.68980 -0.0019 -0.0019 -0.0019 -2.2816
|
|
Ag -2.67777 -2.29019 4.29480 -0.0035 -0.0035 -0.0035 -2.5419
|
|
Ag 0.08829 -2.08943 3.20712 -0.0081 -0.0081 -0.0081 -2.6645
|
|
Ag 0.16226 -2.77487 -0.59167 -0.0047 -0.0047 -0.0047 -2.6707
|
|
Ag 6.75573 3.43999 0.74047 0.0033 0.0033 0.0033 -2.1967
|
|
Ag 2.58429 -1.66377 -1.87784 0.0004 0.0004 0.0004 -2.7258
|
|
Ag -7.80752 2.46134 -1.03117 -0.0010 -0.0010 -0.0010 -2.0703
|
|
Ag 2.83933 -0.45254 5.57739 0.0024 0.0024 0.0024 -2.2654
|
|
Ag 5.63246 -2.74037 3.00898 0.0078 0.0078 0.0078 -2.0742
|
|
Ag -5.19958 2.20332 -0.97850 -0.0036 -0.0036 -0.0036 -2.5034
|
|
Ag -1.91118 0.24133 -3.74738 -0.0057 -0.0057 -0.0057 -2.4167
|
|
Ag -1.21986 0.33356 3.32519 -0.0002 -0.0002 -0.0002 -2.7537
|
|
Ag -2.12623 4.08953 0.60141 -0.0006 -0.0006 -0.0006 -2.2552
|
|
Ag 1.02534 1.24611 -5.85964 -0.0043 -0.0043 -0.0043 -2.4317
|
|
Ag -0.79520 2.23312 -0.77395 0.0020 0.0020 0.0020 -2.6360
|
|
Ag 2.59351 -3.04738 3.77860 -0.0039 -0.0039 -0.0039 -2.3725
|
|
Ag 1.13539 -4.35506 2.01749 0.0010 0.0010 0.0010 -2.4788
|
|
Ag 2.98630 0.81553 -3.73690 -0.0027 -0.0027 -0.0027 -2.6203
|
|
Ag -7.30470 0.44644 -2.75014 -0.0062 -0.0062 -0.0062 -2.4012
|
|
Ag 6.97473 -0.86017 1.69925 0.0014 0.0014 0.0014 -2.2947
|
|
Ag 0.59136 1.95161 4.64808 -0.0031 -0.0031 -0.0031 -2.5302
|
|
Ag 4.21424 -0.32841 0.42530 -0.0004 -0.0004 -0.0004 -2.6518
|
|
Ag -0.23628 -1.62754 -3.13821 0.0010 0.0010 0.0010 -2.5521
|
|
Ag -3.78226 -2.07945 -3.63620 -0.0030 -0.0030 -0.0030 -2.5424
|
|
Ag 2.03363 3.28230 -4.38881 0.0014 0.0014 0.0014 -2.3036
|
|
Ag -3.14295 4.88365 -2.03409 0.0008 0.0008 0.0008 -1.9522
|
|
Ag -4.25662 2.88191 5.05644 -0.0017 -0.0017 -0.0017 -2.0124
|
|
Ag 2.85831 -6.41871 0.58505 -0.0047 -0.0047 -0.0047 -1.7931
|
|
Ag -4.38028 -5.06036 1.01056 0.0022 0.0022 0.0022 -2.4179
|
|
Ag 3.99778 6.42978 4.14281 -0.0015 -0.0015 -0.0015 -1.8214
|
|
Ag 4.19684 -2.27105 -5.97851 0.0032 0.0032 0.0032 -1.9802
|
|
Ag 3.66057 0.33224 -6.33559 0.0035 0.0035 0.0035 -2.1350
|
|
Ag 5.75108 1.68263 2.43343 0.0025 0.0025 0.0025 -2.4977
|
|
Ag -0.46513 4.13679 -2.97533 -0.0015 -0.0015 -0.0015 -2.4394
|
|
Ag 5.95119 4.21403 -1.73859 0.0004 0.0004 0.0004 -1.9672
|
|
Ag 4.23197 4.51900 0.25785 -0.0068 -0.0068 -0.0068 -2.5493
|
|
Ag -2.78951 0.77798 0.62918 0.0092 0.0092 0.0092 -2.7718
|
|
Ag 5.61515 0.97827 -3.54100 0.0040 0.0040 0.0040 -2.2774
|
|
Ag -5.80595 -0.49214 -4.79295 -0.0036 -0.0036 -0.0036 -2.0377
|
|
Ag -6.87209 0.24085 0.06482 0.0013 0.0013 0.0013 -2.4891
|
|
Ag -4.38579 -0.00277 -2.13027 -0.0047 -0.0047 -0.0047 -2.7577
|
|
Ag 4.27395 1.89659 -1.21993 -0.0008 -0.0008 -0.0008 -2.7404
|
|
Ag 0.50247 1.60009 -3.03211 0.0007 0.0007 0.0007 -2.6850
|
|
Ag -2.87902 2.48308 -2.99351 -0.0013 -0.0013 -0.0013 -2.4937
|