73 lines
7.0 KiB
Plaintext
73 lines
7.0 KiB
Plaintext
70
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.72901 -0.11192 0.48891 0.0009 0.0009 0.0009 -2.9254
|
|
Ag 2.56379 -0.54957 -3.95698 -0.0011 -0.0011 -0.0011 -2.4611
|
|
Ag 4.02378 0.33155 4.19324 -0.0017 -0.0017 -0.0017 -2.5932
|
|
Ag -0.80444 -4.49024 0.43707 0.0006 0.0006 0.0006 -2.6758
|
|
Ag 3.47506 3.78648 -2.54444 0.0001 0.0001 0.0001 -2.3556
|
|
Ag 3.24112 -1.09979 1.55628 0.0029 0.0029 0.0029 -2.8952
|
|
Ag -3.37281 -3.60251 -0.62063 -0.0017 -0.0017 -0.0017 -2.6691
|
|
Ag -1.20784 -4.30584 -2.47425 -0.0014 -0.0014 -0.0014 -2.4488
|
|
Ag 0.49981 2.64319 3.69623 0.0015 0.0015 0.0015 -2.6463
|
|
Ag -4.06408 -1.01577 -4.71764 -0.0009 -0.0009 -0.0009 -2.4929
|
|
Ag -0.64892 -2.12334 1.93672 0.0045 0.0045 0.0045 -2.9002
|
|
Ag -1.84963 0.83564 -0.56439 0.0009 0.0009 0.0009 -2.9544
|
|
Ag 4.89288 0.85202 -0.03508 -0.0009 -0.0009 -0.0009 -2.5887
|
|
Ag -2.96900 3.61890 -3.25207 -0.0018 -0.0018 -0.0018 -2.4368
|
|
Ag -3.64912 -1.01333 -1.95004 -0.0003 -0.0003 -0.0003 -2.8368
|
|
Ag -4.71625 1.59850 -4.66369 -0.0008 -0.0008 -0.0008 -2.3665
|
|
Ag 5.00921 2.05748 2.34290 -0.0019 -0.0019 -0.0019 -2.3853
|
|
Ag 4.69636 -2.26603 3.82699 -0.0010 -0.0010 -0.0010 -2.3450
|
|
Ag -1.31416 0.65114 2.34111 -0.0023 -0.0023 -0.0023 -2.8820
|
|
Ag 3.48714 -3.58595 -1.64571 -0.0009 -0.0009 -0.0009 -2.4493
|
|
Ag 2.44938 1.62549 1.91584 -0.0007 -0.0007 -0.0007 -2.8252
|
|
Ag -5.65595 -0.28207 -0.12410 -0.0026 -0.0026 -0.0026 -2.5567
|
|
Ag -0.88121 0.62549 5.12577 -0.0004 -0.0004 -0.0004 -2.4572
|
|
Ag -1.41223 -1.71891 -3.85118 0.0022 0.0022 0.0022 -2.6917
|
|
Ag 3.13124 2.86339 4.22030 0.0019 0.0019 0.0019 -2.3552
|
|
Ag 1.04728 -5.27739 -1.53441 -0.0008 -0.0008 -0.0008 -2.2816
|
|
Ag -3.50631 1.23073 3.88082 0.0009 0.0009 0.0009 -2.3627
|
|
Ag 1.06948 -0.40475 3.27190 0.0005 0.0005 0.0005 -2.8812
|
|
Ag 2.42190 -1.71473 5.36903 -0.0004 -0.0004 -0.0004 -2.3686
|
|
Ag -0.99595 5.44790 -1.60500 0.0009 0.0009 0.0009 -2.3453
|
|
Ag 2.91467 -0.82885 -1.20333 0.0000 0.0000 0.0000 -2.8735
|
|
Ag -4.07519 1.47139 1.04540 0.0005 0.0005 0.0005 -2.6280
|
|
Ag 5.92324 -0.52559 2.14747 0.0011 0.0011 0.0011 -2.3569
|
|
Ag -0.40739 -4.53935 3.21346 -0.0004 -0.0004 -0.0004 -2.3843
|
|
Ag -2.23174 0.94054 -3.45053 0.0000 0.0000 0.0000 -2.8941
|
|
Ag 4.95958 -1.50163 -2.97675 0.0014 0.0014 0.0014 -2.2506
|
|
Ag 4.08984 -3.62206 1.31554 -0.0003 -0.0003 -0.0003 -2.4574
|
|
Ag 2.04442 -3.00826 3.15576 0.0037 0.0037 0.0037 -2.6944
|
|
Ag 1.78146 1.02226 5.67397 -0.0005 -0.0005 -0.0005 -2.3863
|
|
Ag -5.51104 -2.88510 0.92619 -0.0013 -0.0013 -0.0013 -2.3538
|
|
Ag -5.24674 -0.60019 2.60679 0.0032 0.0032 0.0032 -2.3735
|
|
Ag 0.01325 2.59725 0.76704 -0.0008 -0.0008 -0.0008 -2.9105
|
|
Ag -0.42362 2.84453 -2.11818 0.0023 0.0023 0.0023 -2.9014
|
|
Ag -4.49587 1.63739 -1.86061 0.0007 0.0007 0.0007 -2.6082
|
|
Ag -6.04985 -0.13667 -2.93767 -0.0038 -0.0038 -0.0038 -2.3485
|
|
Ag -2.56246 3.55482 -0.38315 -0.0002 -0.0002 -0.0002 -2.6422
|
|
Ag -2.24644 3.19138 2.34731 0.0015 0.0015 0.0015 -2.4743
|
|
Ag 0.30769 0.02038 -2.45444 -0.0027 -0.0027 -0.0027 -2.8678
|
|
Ag 1.14467 -2.62419 -2.62032 0.0006 0.0006 0.0006 -2.6903
|
|
Ag 1.15226 4.89411 -3.23951 0.0008 0.0008 0.0008 -2.3042
|
|
Ag -0.23024 -2.18929 4.84047 -0.0004 -0.0004 -0.0004 -2.4882
|
|
Ag 1.73345 -5.19643 1.51501 -0.0001 -0.0001 -0.0001 -2.3576
|
|
Ag -3.14792 -1.14924 0.95657 0.0021 0.0021 0.0021 -2.9180
|
|
Ag 0.00937 0.31016 -5.24101 0.0026 0.0026 0.0026 -2.4662
|
|
Ag -0.55391 5.23539 1.23644 0.0026 0.0026 0.0026 -2.3315
|
|
Ag 1.38781 4.57891 -0.63648 -0.0015 -0.0015 -0.0015 -2.6315
|
|
Ag -2.54866 0.74564 -6.13613 -0.0015 -0.0015 -0.0015 -2.2863
|
|
Ag 2.15415 4.46067 2.27280 -0.0019 -0.0019 -0.0019 -2.3989
|
|
Ag 3.63518 3.22338 0.10878 0.0004 0.0004 0.0004 -2.4993
|
|
Ag -5.75556 -2.58790 -1.71227 -0.0021 -0.0021 -0.0021 -2.3789
|
|
Ag 1.74386 2.20628 -3.88358 -0.0004 -0.0004 -0.0004 -2.6489
|
|
Ag -0.98261 2.84357 -5.05103 -0.0019 -0.0019 -0.0019 -2.4064
|
|
Ag -3.58037 -3.29330 -3.30116 0.0028 0.0028 0.0028 -2.3865
|
|
Ag 5.21082 -2.06745 -0.47712 0.0000 0.0000 0.0000 -2.3610
|
|
Ag 1.89404 1.72510 -1.22253 0.0008 0.0008 0.0008 -2.7788
|
|
Ag -1.05397 -1.91002 -0.93414 0.0007 0.0007 0.0007 -2.9572
|
|
Ag -2.72151 -1.40502 3.75042 0.0004 0.0004 0.0004 -2.5916
|
|
Ag 1.46902 -2.85654 0.16208 -0.0003 -0.0003 -0.0003 -2.9153
|
|
Ag 4.15169 1.13244 -2.86725 0.0010 0.0010 0.0010 -2.4590
|
|
Ag -2.94374 -3.67311 2.24332 0.0005 0.0005 0.0005 -2.4885
|