48 lines
4.5 KiB
Plaintext
48 lines
4.5 KiB
Plaintext
45
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -23.39549 -31.09619 1.89282 0.0014 0.0014 0.0014 -2.9046
|
|
Ag -28.21903 -27.93676 5.87683 0.0008 0.0008 0.0008 -2.1508
|
|
Ag -29.87867 -28.49005 3.18251 0.0006 0.0006 0.0006 -2.2129
|
|
Ag -22.90210 -28.70997 6.01831 -0.0019 -0.0019 -0.0019 -2.3133
|
|
Ag -20.24976 -32.02401 0.21497 0.0021 0.0021 0.0021 -2.2665
|
|
Ag -27.23246 -28.92095 3.29561 -0.0025 -0.0025 -0.0025 -2.8594
|
|
Ag -25.44707 -26.97613 1.97416 0.0020 0.0020 0.0020 -2.8965
|
|
Ag -27.92752 -33.74063 2.71999 -0.0013 -0.0013 -0.0013 -2.3471
|
|
Ag -22.72563 -33.23434 0.16328 -0.0030 -0.0030 -0.0030 -2.4817
|
|
Ag -23.20269 -28.50880 1.02197 -0.0007 -0.0007 -0.0007 -2.9000
|
|
Ag -25.88742 -29.62720 0.95726 -0.0028 -0.0028 -0.0028 -2.8932
|
|
Ag -25.53887 -28.22962 6.12025 0.0008 0.0008 0.0008 -2.4454
|
|
Ag -23.24894 -35.11221 2.14556 -0.0023 -0.0023 -0.0023 -2.2104
|
|
Ag -21.35998 -32.84609 2.58264 -0.0015 -0.0015 -0.0015 -2.4611
|
|
Ag -22.09190 -27.93230 -1.50420 -0.0029 -0.0029 -0.0029 -2.4753
|
|
Ag -27.26954 -30.17834 -1.49156 0.0002 0.0002 0.0002 -2.3207
|
|
Ag -25.26551 -33.45373 1.45842 -0.0037 -0.0037 -0.0037 -2.6545
|
|
Ag -21.84575 -25.35570 -0.43843 -0.0010 -0.0010 -0.0010 -2.2603
|
|
Ag -26.19128 -31.47576 3.10211 0.0003 0.0003 0.0003 -2.8860
|
|
Ag -20.63443 -29.96636 2.05755 0.0035 0.0035 0.0035 -2.5937
|
|
Ag -22.89357 -25.97098 1.97482 -0.0030 -0.0030 -0.0030 -2.6573
|
|
Ag -26.52154 -24.90192 0.57375 -0.0006 -0.0006 -0.0006 -2.3650
|
|
Ag -22.34820 -30.52203 -0.66005 0.0004 0.0004 0.0004 -2.6428
|
|
Ag -24.44128 -29.24642 3.54175 -0.0006 -0.0006 -0.0006 -2.8823
|
|
Ag -28.72022 -29.35948 0.80665 -0.0016 -0.0016 -0.0016 -2.5792
|
|
Ag -25.05301 -24.44996 3.02464 -0.0027 -0.0027 -0.0027 -2.3572
|
|
Ag -24.75753 -30.97546 5.61950 0.0002 0.0002 0.0002 -2.5775
|
|
Ag -25.87063 -35.42834 3.20418 -0.0014 -0.0014 -0.0014 -2.1676
|
|
Ag -23.81063 -33.06842 4.04516 0.0050 0.0050 0.0050 -2.6478
|
|
Ag -24.71920 -29.05954 -1.54968 -0.0014 -0.0014 -0.0014 -2.5565
|
|
Ag -26.93660 -27.48818 -0.42161 -0.0005 -0.0005 -0.0005 -2.5699
|
|
Ag -26.40033 -33.32088 5.13752 -0.0000 -0.0000 -0.0000 -2.3592
|
|
Ag -27.64248 -31.97983 0.55570 -0.0006 -0.0006 -0.0006 -2.5441
|
|
Ag -29.10021 -31.19657 2.81754 0.0010 0.0010 0.0010 -2.4523
|
|
Ag -24.12519 -26.65517 4.44794 0.0025 0.0025 0.0025 -2.5829
|
|
Ag -22.21336 -30.83948 4.32961 -0.0047 -0.0047 -0.0047 -2.5774
|
|
Ag -24.40881 -26.45952 -0.56893 0.0007 0.0007 0.0007 -2.6712
|
|
Ag -24.04530 -23.98862 0.52227 -0.0006 -0.0006 -0.0006 -2.2642
|
|
Ag -28.29385 -26.71673 1.79816 0.0001 0.0001 0.0001 -2.4965
|
|
Ag -26.92414 -26.30380 4.24616 -0.0029 -0.0029 -0.0029 -2.4925
|
|
Ag -21.91959 -28.16679 3.48758 0.0013 0.0013 0.0013 -2.5750
|
|
Ag -19.86689 -29.47759 -0.65132 -0.0020 -0.0020 -0.0020 -2.2410
|
|
Ag -27.57705 -30.72085 5.35190 -0.0004 -0.0004 -0.0004 -2.4477
|
|
Ag -24.90644 -31.56399 -0.52849 -0.0011 -0.0011 -0.0011 -2.5648
|
|
Ag -20.70818 -27.47708 0.84340 -0.0021 -0.0021 -0.0021 -2.4631
|