./POSCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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
0.36212562 0.52597963 0.42339222 # 1 C1
0.37518605 0.41611878 0.56995384 # 2 C2
0.46464951 0.51609117 0.41135257 # 3 C3
0.57985783 0.35732917 0.30819978 # 4 C4
0.51805686 0.39203427 0.46464572 # 5 C5
0.50254995 0.25792404 0.26679675 # 6 C6
0.34347337 0.49216176 0.53470402 # 7 Si1
0.41594927 0.57213342 0.41745919 # 8 Si2
0.23827765 0.47558385 0.55722301 # 9 Si3
0.18262503 0.39265907 0.68061793 # 10 Si4
0.23422884 0.32691189 0.52468398 # 11 Si5
0.57674641 0.38833758 0.42717899 # 12 Si6
0.56350284 0.26846431 0.29021638 # 13 Si7
0.64088761 0.51084879 0.45907797 # 14 Si8
0.63207209 0.61984766 0.59649743 # 15 Si9
0.60151916 0.64571467 0.40723460 # 16 Si10
0.34679136 0.55228849 0.61000637 # 17 O1
0.29059143 0.46985074 0.52671187 # 18 O2
0.41841736 0.61359124 0.51499544 # 19 O3
0.41628002 0.62260598 0.32900109 # 20 O4
0.60727194 0.34040468 0.49334268 # 21 O5
0.59704416 0.46537889 0.43054497 # 22 O6
0.57874181 0.22986902 0.38458202 # 23 O7
0.59318523 0.23161771 0.21030989 # 24 O8
0.21862792 0.39691613 0.58869878 # 25 N1
0.23546144 0.33918328 0.41105676 # 26 N2
0.13508218 0.44092002 0.67347584 # 27 N3
0.62529554 0.59195626 0.48581745 # 28 N4
0.61270771 0.62620319 0.29756484 # 29 N5
0.68479022 0.63971233 0.63300453 # 30 N6
0.36236363 0.48525354 0.37355282 # 31 H1
0.33642725 0.56198502 0.40131119 # 32 H2
0.37055183 0.58449755 0.59690068 # 33 H3
0.37184104 0.37506734 0.52155120 # 34 H4
0.36251392 0.39806773 0.63447883 # 35 H5
0.41090186 0.42704911 0.57828529 # 36 H6
0.49777747 0.54047703 0.41241643 # 37 H7
0.46260164 0.48337947 0.35196621 # 38 H8
0.46232732 0.48451008 0.47122746 # 39 H9
0.44456006 0.64125475 0.52491759 # 40 H10
0.44585667 0.62740079 0.30330811 # 41 H11
0.23253612 0.52132023 0.63519151 # 42 H12
0.21279825 0.50225275 0.47950750 # 43 H13
0.16976250 0.32093603 0.68881101 # 44 H14
0.20568594 0.41706840 0.76246394 # 45 H15
0.28017241 0.30526573 0.54962454 # 46 H16
0.20108884 0.27352514 0.54507495 # 47 H17
0.26186853 0.36333473 0.38323336 # 48 H18
0.20697782 0.35002433 0.37718316 # 49 H19
0.13491667 0.48854407 0.69711737 # 50 H20
0.11243755 0.43500450 0.62365873 # 51 H21
0.56007211 0.38949005 0.26309631 # 52 H22
0.61502858 0.36261422 0.28761671 # 53 H23
0.60239768 0.29352693 0.47672844 # 54 H24
0.50164855 0.42210541 0.41352242 # 55 H25
0.51520170 0.41831543 0.52892566 # 56 H26
0.50047524 0.34375721 0.46835867 # 57 H27
0.49326742 0.20480042 0.26218493 # 58 H28
0.49324161 0.28203204 0.20342286 # 59 H29
0.48214829 0.28072761 0.31963463 # 60 H30
0.58148522 0.18154575 0.38240818 # 61 H31
0.57993069 0.22750237 0.15167691 # 62 H32
0.66292484 0.48218250 0.53955333 # 63 H33
0.67253044 0.51054028 0.38236887 # 64 H34
0.60441507 0.68180803 0.60274547 # 65 H35
0.61556742 0.56668716 0.65791449 # 66 H36
0.55174627 0.64490572 0.41452718 # 67 H37
0.61847251 0.71453633 0.42491679 # 68 H38
0.59619407 0.58800294 0.26709000 # 69 H39
0.64430208 0.63009845 0.27309621 # 70 H40
0.70609283 0.60248028 0.65048602 # 71 H41
0.70172567 0.67861080 0.60568339 # 72 H42