Stage_1/POSCAR output for 741: H-OSi + OH-Si on SiO2 surface (pair job 733)
Status:
finished
H-OSi + OH-Si on SiO2 surface (pair job 733)
1.0
9.74432000 0.00000000 0.00000000
0.00000000 9.74432000 0.00000000
0.00000000 0.00000000 23.42768000
Si O H
31 70 16
Selective dynamics
Direct
0.13004269 0.12683662 0.38566652 F F F # 1 Si1
0.37571184 0.12073517 0.30680226 F F F # 2 Si2
0.30247127 0.08750620 0.60853776 T T T # 3 Si3
0.10242190 0.39428009 0.14932701 F F F # 4 Si4
0.09541774 0.37873419 0.46221791 F F F # 5 Si5
0.35346116 0.36762209 0.22828020 F F F # 6 Si6
0.34680032 0.34331013 0.53587941 T T T # 7 Si7
0.13084800 0.62796108 0.38162465 F F F # 8 Si8
0.38160468 0.62103107 0.30631277 F F F # 9 Si9
0.33170920 0.60951483 0.61777523 T T T # 10 Si10
0.11550856 0.89279477 0.14623402 F F F # 11 Si11
0.09027985 0.87276630 0.46321465 F F F # 12 Si12
0.36161259 0.86852582 0.22814554 F F F # 13 Si13
0.34817006 0.83824490 0.53921754 T T T # 14 Si14
0.62678798 0.16997203 0.38638045 F F F # 15 Si15
0.87145882 0.09568495 0.30785189 F F F # 16 Si16
0.81498319 0.12074113 0.61684400 T T T # 17 Si17
0.59865848 0.36578240 0.14818907 F F F # 18 Si18
0.60201154 0.42146182 0.46063627 F F F # 19 Si19
0.84889419 0.34433038 0.22913790 F F F # 20 Si20
0.84123038 0.35206469 0.53586034 T T T # 21 Si21
0.63416668 0.67559786 0.38479645 F F F # 22 Si22
0.87785627 0.60140173 0.30472595 F F F # 23 Si23
0.81646537 0.65407193 0.64945124 T T T # 24 Si24
0.60596507 0.86630801 0.14725146 F F F # 25 Si25
0.59203173 0.92165403 0.46287674 F F F # 26 Si26
0.85899178 0.84708200 0.22608629 F F F # 27 Si27
0.84397617 0.85440892 0.54441419 T T T # 28 Si28
0.96488680 0.38505470 0.65149300 T T T # 29 Si29
0.54352225 0.21803167 0.64720507 T T T # 30 Si30
0.66961016 0.49001219 0.69833127 T T T # 31 Si31
0.07346452 0.01399343 0.10300415 F F F # 32 O1
0.08337909 0.02751215 0.43814045 F F F # 33 O2
0.30335071 0.23953339 0.26806649 F F F # 34 O3
0.29553340 0.18556633 0.55180003 T T T # 35 O4
0.15629441 0.26745267 0.10725334 F F F # 36 O5
0.15806415 0.27534628 0.41464149 F F F # 37 O6
0.42005073 0.48835280 0.26754391 F F F # 38 O7
0.36126582 0.43465447 0.59435615 T T T # 39 O8
0.46706248 0.30769951 0.18374382 F F F # 40 O9
0.45032170 0.37371012 0.48031311 F F F # 41 O10
0.22459574 0.43428344 0.19405882 F F F # 42 O11
0.20154464 0.40761446 0.51265501 T T T # 43 O12
0.26922028 0.06903388 0.35595224 F F F # 44 O13
0.15281407 0.06616583 0.63810837 T T T # 45 O14
0.01589383 0.14347484 0.33578430 F F F # 46 O15
0.89814941 0.22798441 0.65883709 T T T # 47 O16
0.05266890 0.51911201 0.10936736 F F F # 48 O17
0.07278031 0.52586796 0.43092495 F F F # 49 O18
0.31020359 0.74093258 0.26789003 F F F # 50 O19
0.38062179 0.68791632 0.56553945 T T T # 51 O20
0.16768258 0.76139398 0.10631188 F F F # 52 O21
0.14592557 0.77706627 0.41178302 F F F # 53 O22
0.42363512 0.99102411 0.26795759 F F F # 54 O23
0.37906542 0.94553153 0.59087975 T T T # 55 O24
0.47848020 0.80817939 0.18525142 F F F # 56 O25
0.44172141 0.86901782 0.48329582 F F F # 57 O26
0.23540140 0.93375915 0.19182948 F F F # 58 O27
0.18930393 0.86093587 0.51928308 T T T # 59 O28
0.27896411 0.57614662 0.35807972 F F F # 60 O29
0.03061046 0.64108441 0.32664364 F F F # 61 O30
0.91250561 0.53154700 0.68001834 T T T # 62 O31
0.55985367 0.98659211 0.10417284 F F F # 63 O32
0.57743099 0.07903933 0.44115938 F F F # 64 O33
0.81931904 0.19369528 0.25614838 F F F # 65 O34
0.78673188 0.20054544 0.55630170 T T T # 66 O35
0.65238064 0.23560504 0.10793596 F F F # 67 O36
0.66069784 0.32347211 0.40987064 F F F # 68 O37
0.88096586 0.44366926 0.28321766 F F F # 69 O38
0.92795292 0.42572214 0.58567468 T T T # 70 O39
0.97700497 0.32810289 0.18555444 F F F # 71 O40
0.94834439 0.32527632 0.48678481 F F F # 72 O41
0.71815393 0.40409256 0.19420854 F F F # 73 O42
0.70832883 0.43420525 0.51422643 T T T # 74 O43
0.76069086 0.09628474 0.35948827 F F F # 75 O44
0.66748933 0.10027535 0.65027602 T T T # 76 O45
0.51014684 0.18474002 0.33758201 F F F # 77 O46
0.39347292 0.15392353 0.66114852 T T T # 78 O47
0.55608608 0.48778516 0.10538013 F F F # 79 O48
0.58975490 0.57780977 0.43772928 F F F # 80 O49
0.82804375 0.69447392 0.25108943 F F F # 81 O50
0.84532136 0.71635551 0.58465766 T T T # 82 O51
0.65649653 0.73465272 0.10717211 F F F # 83 O52
0.65032956 0.82950770 0.41059182 F F F # 84 O53
0.89145424 0.94339700 0.28123409 F F F # 85 O54
0.88742120 0.97721185 0.59375279 T T T # 86 O55
0.98699272 0.83340502 0.18252706 F F F # 87 O56
0.93854038 0.82738445 0.48566859 F F F # 88 O57
0.72866083 0.90832185 0.19129422 F F F # 89 O58
0.69550922 0.90455287 0.51889293 T T T # 90 O59
0.77810657 0.62080984 0.35943792 F F F # 91 O60
0.66502714 0.58379532 0.64518487 T T T # 92 O61
0.52207217 0.68023045 0.33387737 F F F # 93 O62
0.43698762 0.65022499 0.68014327 T T T # 94 O63
0.57142706 0.35007641 0.68774390 T T T # 95 O64
0.53793956 0.25862917 0.57857907 T T T # 96 O65
0.82606995 0.77503296 0.69778254 T T T # 97 O66
0.12082015 0.36771140 0.67492884 T T T # 98 O67
0.17283257 0.63999585 0.63150983 T T T # 99 O68
0.83375672 0.44964881 0.72706348 T T T # 100 O69
0.56906937 0.59337570 0.75240709 T T T # 101 O70
0.10504279 0.11085008 0.10711263 F F F # 102 H1
0.20161583 0.29660556 0.07239204 F F F # 103 H2
0.09783099 0.61088924 0.10940759 F F F # 104 H3
0.21192978 0.78691571 0.07071069 F F F # 105 H4
0.59424752 0.08272086 0.10788994 F F F # 106 H5
0.69099098 0.26285387 0.07143291 F F F # 107 H6
0.59451783 0.58242316 0.10816195 F F F # 108 H7
0.69647969 0.76058793 0.07075622 F F F # 109 H8
0.61517845 0.22144765 0.55636396 T T T # 110 H9
0.08231165 0.00964546 0.62000938 T T T # 111 H10
0.76524466 0.85345337 0.69377559 T T T # 112 H11
0.15145706 0.27227218 0.67743281 T T T # 113 H12
0.13457901 0.60771682 0.66752696 T T T # 114 H13
0.82612201 0.41773929 0.76969042 T T T # 115 H14
0.59978706 0.56648264 0.79329056 T T T # 116 H15
0.37648413 0.65628302 0.71680878 T T T # 117 H16