CH4 + Si-CH2-Si on Si slat_V4
1.0
7.66310000 0.00000000 0.00000000
0.00000000 25.32620000 0.00000000
0.00000000 0.00000000 10.83726000
Si O C H Cl
40 15 2 19 4
Selective dynamics
Direct
0.01477911 0.46508492 0.06403021 T T T # 1 Si1
0.00297656 0.54061027 0.44109463 T T T # 2 Si2
0.24927465 0.46485408 0.20003241 T T T # 3 Si3
0.24901085 0.54448633 0.31488643 T T T # 4 Si4
0.00000000 0.23711251 0.43249270 F F F # 5 Si5
0.25000000 0.23711251 0.31750730 F F F # 6 Si6
0.00000000 0.31002987 0.06310984 F F F # 7 Si7
0.25000000 0.31002987 0.18689016 F F F # 8 Si8
0.00000000 0.38653400 0.43672229 F F F # 9 Si9
0.25000000 0.38653400 0.31327771 F F F # 10 Si10
0.00766700 0.46287303 0.55895451 T T T # 11 Si11
0.00362220 0.54573170 0.94142932 T T T # 12 Si12
0.25340878 0.46601139 0.69114946 T T T # 13 Si13
0.24657477 0.54548999 0.81337977 T T T # 14 Si14
0.25000000 0.23711251 0.81750730 F F F # 15 Si15
0.00000000 0.31002987 0.56310984 F F F # 16 Si16
0.25000000 0.31002987 0.68689016 F F F # 17 Si17
0.00000000 0.38653400 0.93672229 F F F # 18 Si18
0.25000000 0.38653400 0.81327771 F F F # 19 Si19
0.48742537 0.46303212 0.06762574 T T T # 20 Si20
0.50522648 0.54402118 0.43244110 T T T # 21 Si21
0.75311055 0.46313948 0.18972925 T T T # 22 Si22
0.75769582 0.53955881 0.31159647 T T T # 23 Si23
0.50000000 0.23711251 0.43249270 F F F # 24 Si24
0.75000000 0.23711251 0.31750730 F F F # 25 Si25
0.50000000 0.31002987 0.06310984 F F F # 26 Si26
0.75000000 0.31002987 0.18689016 F F F # 27 Si27
0.50000000 0.38653400 0.43672229 F F F # 28 Si28
0.75000000 0.38653400 0.31327771 F F F # 29 Si29
0.49396721 0.46553239 0.55291879 T T T # 30 Si30
0.48697473 0.54348287 0.94681273 T T T # 31 Si31
0.74745997 0.46118240 0.66852695 T T T # 32 Si32
0.74558066 0.52448081 0.83387697 T T T # 33 Si33
0.50000000 0.23711251 0.93249270 F F F # 34 Si34
0.75000000 0.23711251 0.81750730 F F F # 35 Si35
0.75000000 0.31002987 0.68689016 F F F # 36 Si36
0.50000000 0.38653400 0.93672229 F F F # 37 Si37
0.75000000 0.38653400 0.81327771 F F F # 38 Si38
0.27139273 0.66617742 0.73333478 T T T # 39 Si39
0.51528076 0.66550382 0.50157123 T T T # 40 Si40
0.23974799 0.60167811 0.72588737 T T T # 41 O1
0.52181768 0.60140479 0.51162677 T T T # 42 O2
0.98179668 0.59236003 0.53593442 T T T # 43 O3
0.22374797 0.59835140 0.22959934 T T T # 44 O7
0.00495881 0.60292400 0.01503193 T T T # 45 O12
0.76080528 0.59296716 0.21192184 T T T # 46 O18
0.48289631 0.59384006 0.04768086 T T T # 47 O25
0.74330412 0.46308420 0.90475406 T T T # 48 O33
-0.00000000 0.16456315 0.44151598 T T T # 49 O9
0.23500548 0.16466496 0.31046265 T T T # 50 O19
0.25558400 0.16448054 0.81808343 T T T # 51 O30
0.50383659 0.16470738 0.41877263 T T T # 52 O42
0.75820013 0.16478039 0.30268521 T T T # 53 O55
0.50697292 0.16514823 0.90971379 T T T # 54 O69
0.75000000 0.16484064 0.80016097 T T T # 55 O84
0.31308724 0.69101077 0.57444179 T T T # 56 C1
0.51905504 0.83744389 0.46703354 T T T # 57 C2
0.37787475 0.84002366 0.45094046 T T T # 58 H1
0.20102024 0.67934300 0.51638623 T T T # 59 H2
0.57868230 0.87607143 0.44922891 T T T # 60 H7
0.31752465 0.73449680 0.57670991 T T T # 61 H8
0.57595187 0.80796627 0.40477239 T T T # 62 H9
0.54420938 0.82596105 0.56303753 T T T # 63 H10
0.06776971 0.59439197 0.60321233 T T T # 64 H11
0.30316949 0.60276147 0.15832490 T T T # 65 H19
0.94033086 0.60440755 0.09346111 T T T # 66 H28
0.73394514 0.62677093 0.25247425 T T T # 67 H38
0.58738285 0.59511410 0.10205532 T T T # 68 H49
0.75686050 0.46407812 0.99673253 T T T # 69 H61
0.88213921 0.15009306 0.44590758 T T T # 70 H13
0.35018967 0.14986439 0.30641013 T T T # 71 H27
0.13857194 0.15100327 0.82101169 T T T # 72 H42
0.38650891 0.15142575 0.41920157 T T T # 73 H58
0.64169348 0.15085194 0.30292065 T T T # 74 H75
0.39023758 0.15140486 0.90854855 T T T # 75 H93
0.86801628 0.15237607 0.79432648 T T T # 76 H112
0.47586407 0.68376222 0.84746101 T T T # 77 Cl
0.52391132 0.68873708 0.31698047 T T T # 78 Cl4
0.05571023 0.70250523 0.80530143 T T T # 79 Cl2
0.73248511 0.69866712 0.57774939 T T T # 80 Cl3