./iterations/neb0_image06_iter15.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.358496044151 0.535695524921 0.423006367012} C1 1 1
14 {} {0.339447040209 0.502626383244 0.534030988674} Si1 2 1
14 {} {0.413375067409 0.578589018974 0.418566937443} Si2 3 1
8 {} {0.342772909231 0.562892904367 0.609297319073} O1 4 1
8 {} {0.286598193634 0.480567934459 0.526077529229} O2 5 1
6 {} {0.371126602559 0.426689089881 0.569422305506} C2 6 1
6 {} {0.462331834572 0.521579855243 0.412095789012} C3 7 1
8 {} {0.415326630432 0.622278317121 0.514092575417} O3 8 1
8 {} {0.413888198648 0.629168072957 0.330603374811} O4 9 1
14 {} {0.23421451691 0.486247154373 0.556690603049} Si3 10 1
7 {} {0.214598740238 0.407551301571 0.588145073407} N1 11 1
14 {} {0.178573388455 0.403227163539 0.680007049038} Si4 12 1
14 {} {0.230187780175 0.337547098666 0.524164306025} Si5 13 1
7 {} {0.231417248549 0.349834832777 0.410535328273} N2 14 1
7 {} {0.131047658733 0.451525885571 0.672847602357} N3 15 1
1 {} {0.358095233872 0.495264172885 0.372964430457} H1 16 1
1 {} {0.333556694902 0.572777369662 0.400970396193} H2 17 1
1 {} {0.366523528335 0.595065869656 0.596220100835} H3 18 1
1 {} {0.367798473732 0.385681224894 0.520942518613} H4 19 1
1 {} {0.358461089114 0.408615029223 0.633931895501} H5 20 1
1 {} {0.406840332185 0.437660815082 0.577710158576} H6 21 1
1 {} {0.494446186962 0.548067094316 0.41187321249} H7 22 1
1 {} {0.460996005367 0.490394044968 0.351859619344} H8 23 1
1 {} {0.462928048889 0.487855178658 0.469681148342} H9 24 1
1 {} {0.440619909759 0.651557541331 0.52413092068} H10 25 1
1 {} {0.442424618645 0.637559331868 0.302334410517} H11 26 1
1 {} {0.228476079863 0.531921021236 0.634657527469} H12 27 1
1 {} {0.208741882348 0.512838824834 0.47896913187} H13 28 1
1 {} {0.165697271532 0.331530187553 0.688144432169} H14 29 1
1 {} {0.201619628963 0.427590396259 0.761891682916} H15 30 1
1 {} {0.276113071314 0.31587074656 0.549071186477} H16 31 1
1 {} {0.197060232248 0.284145768139 0.54448416163} H17 32 1
1 {} {0.257834027541 0.373914690287 0.382646663931} H18 33 1
1 {} {0.202935022165 0.360600416736 0.376583833906} H19 34 1
1 {} {0.130867537569 0.499134200882 0.696560937315} H20 35 1
1 {} {0.108386574436 0.44559550772 0.623038908281} H21 36 1
6 {} {0.583446965489 0.347022090888 0.30889010753} C4 37 1
14 {} {0.578988802373 0.380178558023 0.426020697534} Si6 38 1
14 {} {0.567480973456 0.257943801199 0.290941145635} Si7 39 1
8 {} {0.607610375946 0.331360479218 0.494021316985} O5 40 1
8 {} {0.601250256415 0.455565444264 0.430854650033} O6 41 1
6 {} {0.52008537594 0.38778170925 0.463116711621} C5 42 1
6 {} {0.506587952511 0.247310764532 0.267330977348} C6 43 1
8 {} {0.582669105374 0.219268441759 0.385218715819} O7 44 1
8 {} {0.597208445942 0.221009371612 0.211058592861} O8 45 1
14 {} {0.644996061952 0.500336967898 0.459574026768} Si8 46 1
7 {} {0.629477970519 0.581430842544 0.486624102783} N4 47 1
14 {} {0.636009199584 0.60917292618 0.596985703737} Si9 48 1
14 {} {0.605585065095 0.635184017949 0.407610160927} Si10 49 1
7 {} {0.616726614678 0.615846317355 0.297750661994} N5 50 1
7 {} {0.68872681615 0.628973554799 0.633347849167} N6 51 1
1 {} {0.564020846046 0.378778203903 0.262933419969} H22 52 1
1 {} {0.618760596826 0.35215208088 0.289286138064} H23 53 1
1 {} {0.605770820179 0.284274702748 0.476432867798} H24 54 1
1 {} {0.501398895274 0.4201509249 0.417674675773} H25 55 1
1 {} {0.518314068204 0.410436545809 0.529766194528} H26 56 1
1 {} {0.502758860439 0.339403483858 0.465205263853} H27 57 1
1 {} {0.497267565964 0.194193161646 0.262720873617} H28 58 1
1 {} {0.497317350367 0.271454698342 0.203965714092} H29 59 1
1 {} {0.486180518547 0.270176122872 0.320122942644} H30 60 1
1 {} {0.585469221631 0.170931638577 0.382982715912} H31 61 1
1 {} {0.583985600277 0.216907339029 0.152333923866} H32 62 1
1 {} {0.667054289049 0.471651039189 0.540253817351} H33 63 1
1 {} {0.676736097302 0.500041172033 0.382909944228} H34 64 1
1 {} {0.608489953267 0.671233894733 0.603576627928} H35 65 1
1 {} {0.619645952631 0.556194955754 0.65862888881} H36 66 1
1 {} {0.555829410336 0.634342755843 0.415202188697} H37 67 1
1 {} {0.622579217685 0.70404464478 0.425640522032} H38 68 1
1 {} {0.600362133973 0.577458904062 0.267932075806} H39 69 1
1 {} {0.648252691133 0.619438378134 0.273726302029} H40 70 1
1 {} {0.710185200244 0.591710953329 0.651146327513} H41 71 1
1 {} {0.705779401563 0.668105450976 0.60604903596} H42 72 1
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