./POSCAR output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
No title
1.0
30.00000000 0.00000000 0.00000000
0.00000000 20.00000000 0.00000000
0.00000000 0.00000000 15.00000000
C Si O N H
6 10 8 6 42
Direct
0.22412654 0.52523546 0.34065185 # 1 C1
0.27615126 0.39505850 0.29197161 # 2 C2
0.14593336 0.45397963 0.24193407 # 3 C3
0.64053592 0.64293926 0.47208118 # 4 C4
0.54734001 0.58475279 0.48826550 # 5 C5
0.58614842 0.77748620 0.47176232 # 6 C6
0.27799234 0.48824568 0.29881826 # 7 Si1
0.17750451 0.53370564 0.25976133 # 8 Si2
0.36876109 0.53769440 0.37426956 # 9 Si3
0.45535161 0.47230716 0.36792105 # 10 Si4
0.38316916 0.41904095 0.50066254 # 11 Si5
0.60104408 0.57891465 0.42936676 # 12 Si6
0.63427833 0.72843491 0.42648852 # 13 Si7
0.62719028 0.42306033 0.42015043 # 14 Si8
0.56197658 0.32258721 0.35000662 # 15 Si9
0.55706331 0.36837145 0.54545212 # 16 Si10
0.29062482 0.52107310 0.20091290 # 17 O1
0.31740487 0.50908712 0.37021517 # 18 O2
0.20197473 0.55983574 0.16557727 # 19 O3
0.14208557 0.59470604 0.28677780 # 20 O4
0.59305386 0.58567993 0.31942248 # 21 O5
0.61769302 0.50190822 0.44781328 # 22 O6
0.62952858 0.71631309 0.31642892 # 23 O7
0.68158378 0.76967017 0.44229440 # 24 O8
0.40219612 0.47292693 0.41560599 # 25 N1
0.35453992 0.45810654 0.58568526 # 26 N2
0.46794814 0.55579839 0.36118102 # 27 N3
0.58149701 0.37199625 0.43888425 # 28 N4
0.59251483 0.38724097 0.63182750 # 29 N5
0.59697448 0.25994795 0.31252703 # 30 N6
0.21256497 0.49661169 0.39915071 # 31 H1
0.23204000 0.57604067 0.36481431 # 32 H2
0.26514624 0.54143863 0.17026418 # 33 H3
0.27097214 0.37199454 0.35777742 # 34 H4
0.30785632 0.37595891 0.26520215 # 35 H5
0.24937789 0.37798743 0.24725228 # 36 H6
0.11941157 0.46020371 0.19191908 # 37 H7
0.13039394 0.43630262 0.30416522 # 38 H8
0.16831323 0.41411966 0.21837769 # 39 H9
0.18340242 0.58271416 0.12224009 # 40 H10
0.11370901 0.58227513 0.31290886 # 41 H11
0.38517677 0.55705833 0.28438215 # 42 H12
0.36860435 0.59635558 0.43626371 # 43 H13
0.48213954 0.42481221 0.42453041 # 44 H14
0.45967244 0.44860237 0.27170392 # 45 H15
0.35202799 0.37011400 0.45977110 # 46 H16
0.42342332 0.38595116 0.53862922 # 47 H17
0.32292912 0.47463186 0.57395523 # 48 H18
0.37081030 0.48872007 0.62928368 # 49 H19
0.49694337 0.56529968 0.32951766 # 50 H20
0.46606907 0.57802572 0.42198548 # 51 H21
0.63249218 0.64189351 0.54393115 # 52 H22
0.67452584 0.62389401 0.46029968 # 53 H23
0.60558924 0.62693412 0.29288182 # 54 H24
0.54602339 0.57852014 0.56213865 # 55 H25
0.53406229 0.53881498 0.45675158 # 56 H26
0.52829260 0.63000895 0.46728536 # 57 H27
0.58541929 0.82789474 0.44236273 # 58 H28
0.58817137 0.78321709 0.54465030 # 59 H29
0.55400081 0.75360184 0.45661754 # 60 H30
0.63731823 0.75379065 0.27842296 # 61 H31
0.68166917 0.80413911 0.48752161 # 62 H32
0.63839218 0.41902053 0.32352148 # 63 H33
0.66624737 0.40364488 0.47540020 # 64 H34
0.52029057 0.29068653 0.38292249 # 65 H35
0.55380541 0.36561802 0.27076274 # 66 H36
0.52027645 0.41800658 0.55372481 # 67 H37
0.53964793 0.29905112 0.55684156 # 68 H38
0.59863192 0.43594713 0.64720640 # 69 H39
0.61955631 0.35813802 0.64572221 # 70 H40
0.62160079 0.27108327 0.26831570 # 71 H41
0.60649399 0.22207501 0.35371561 # 72 H42