(Si16O32H6)2 VASP MD nPT 2000fs, step 2fs, 573K, create FF on-the-fly
1.0
9.73971109 0.18435286 0.19797725
-0.00000000 9.88288212 0.34364839
0.00000000 0.00000000 13.98324381
Si O H
32 64 12
Direct
0.12208643 0.19539557 0.02604227 # 1 Si1
0.39061411 0.09047321 0.40535014 # 2 Si2
0.02253146 0.44706595 0.09938601 # 3 Si3
0.34214498 0.37206459 0.29269726 # 4 Si4
0.13097863 0.10944050 0.49992874 # 5 Si5
0.36446515 0.10895363 0.89965666 # 6 Si6
0.15291844 0.36727468 0.60933144 # 7 Si7
0.36059147 0.37327309 0.77633149 # 8 Si8
0.13720084 0.66415297 0.00106630 # 9 Si9
0.38737351 0.65124599 0.35118571 # 10 Si10
0.05944254 0.92205344 0.11769756 # 11 Si11
0.31219544 0.00181549 0.20839722 # 12 Si12
0.14532044 0.63028860 0.49101411 # 13 Si13
0.38954323 0.62810385 0.87626947 # 14 Si14
0.07777075 0.87506153 0.62980778 # 15 Si15
0.33828079 0.98175006 0.72377634 # 16 Si16
0.63237413 0.12796816 0.99199487 # 17 Si17
0.88959845 0.10834352 0.36926628 # 18 Si18
0.55287818 0.36970649 0.11897992 # 19 Si19
0.84762166 0.29848680 0.17922519 # 20 Si20
0.64595517 0.18213419 0.51827438 # 21 Si21
0.90467033 0.18398341 0.87348677 # 22 Si22
0.59744824 0.44752798 0.62421380 # 23 Si23
0.87499167 0.43135974 0.74843285 # 24 Si24
0.60623377 0.63640297 0.02419476 # 25 Si25
0.86775733 0.59542233 0.39693326 # 26 Si26
0.60748937 0.90498952 0.13722476 # 27 Si27
0.83130419 0.85079174 0.27443121 # 28 Si28
0.61417813 0.69535541 0.49164251 # 29 Si29
0.86703144 0.61858162 0.91509739 # 30 Si30
0.64931339 0.94486799 0.67738161 # 31 Si31
0.89090294 0.90455353 0.80588589 # 32 Si32
0.04964602 0.08160438 0.09077199 # 33 O1
0.33517898 0.23401898 0.35953225 # 34 O2
0.13730874 0.32252668 0.09516858 # 35 O3
0.38259806 0.48189468 0.37222908 # 36 O4
0.44028749 0.34441425 0.20029817 # 37 O5
0.16871226 0.41443449 0.25048831 # 38 O6
0.27973263 0.02579844 0.48944026 # 39 O7
0.04887370 0.12052227 0.40145029 # 40 O8
0.04369877 0.02107107 0.57881545 # 41 O9
0.39656230 0.23391412 0.83006169 # 42 O10
0.20593253 0.23244628 0.55491945 # 43 O11
0.35007172 0.46913341 0.86748211 # 44 O12
0.48552432 0.41012175 0.70812113 # 45 O13
0.21891940 0.35606957 0.71267106 # 46 O14
0.27915566 0.14996930 0.99481145 # 47 O15
0.02092307 0.26192949 0.93244162 # 48 O16
0.11611543 0.58554553 0.10535518 # 49 O17
0.37023504 0.72216426 0.24512645 # 50 O18
0.07099678 0.81758836 0.03227968 # 51 O19
0.40015751 0.98575828 0.31134691 # 52 O20
0.44586111 0.94821951 0.14789047 # 53 O21
0.17757068 0.91863125 0.20245724 # 54 O22
0.25946263 0.70304874 0.41554111 # 55 O23
0.02229091 0.56798874 0.43381993 # 56 O24
0.19571962 0.51332261 0.56578918 # 57 O25
0.36828964 0.70056015 0.77756917 # 58 O26
0.08604158 0.75526382 0.55785889 # 59 O27
0.30022066 0.99291081 0.83950596 # 60 O28
0.49070657 0.92129546 0.69949262 # 61 O29
0.21391669 0.88464693 0.69167834 # 62 O30
0.29137223 0.69085246 0.96285136 # 63 O31
0.03912825 0.60828890 0.92369252 # 64 O32
0.68310275 0.02830186 0.07466654 # 65 O33
0.86901972 0.19018954 0.26485601 # 66 O34
0.55459640 0.26431830 0.03709292 # 67 O35
0.80563366 0.43958423 0.39099934 # 68 O36
0.94326695 0.42003532 0.20933856 # 69 O37
0.69115320 0.35585451 0.18692266 # 70 O38
0.78999564 0.16973292 0.44897929 # 71 O39
0.53419882 0.10802852 0.44586594 # 72 O40
0.64669698 0.08695506 0.61850297 # 73 O41
0.88196272 0.26715539 0.77258400 # 74 O42
0.62007862 0.33314875 0.54238388 # 75 O43
0.80988030 0.50527950 0.84546855 # 76 O44
0.98227431 0.36023148 0.60138385 # 77 O45
0.75040945 0.47406606 0.66502337 # 78 O46
0.75092821 0.18015874 0.92668254 # 79 O47
0.51543121 0.04314424 0.93619173 # 80 O48
0.50973271 0.51638461 0.07410254 # 81 O49
0.87059250 0.68920947 0.29831969 # 82 O50
0.61026117 0.77501041 0.07463999 # 83 O51
0.87015588 0.94504802 0.36675671 # 84 O52
0.90733829 0.89916422 0.18025909 # 85 O53
0.67210448 0.87330916 0.23914081 # 86 O54
0.77878065 0.67539498 0.47408499 # 87 O55
0.54130439 0.66558435 0.39259375 # 88 O56
0.54861883 0.59710078 0.58019320 # 89 O57
0.85519766 0.77423373 0.87314716 # 90 O58
0.58296278 0.85648058 0.51195719 # 91 O59
0.95598161 0.02380779 0.86196833 # 92 O60
0.95501497 0.84702969 0.70668681 # 93 O61
0.73582248 0.98049152 0.77142565 # 94 O62
0.76711774 0.58672120 0.01343301 # 95 O63
0.53851223 0.66671065 0.91811730 # 96 O64
0.72702856 0.81690182 0.65323288 # 97 H1
0.56669350 0.89154683 0.43965406 # 98 H3
0.86863023 0.24468111 0.08683914 # 99 H4
0.72366242 0.45042265 0.33817820 # 100 H8
0.32967607 0.10332664 0.67862529 # 101 H5
0.30903320 0.72977904 0.71807694 # 102 H11
0.34773038 0.69046318 0.18720513 # 103 H15
0.27588205 0.14865875 0.19237777 # 104 H9
0.99848156 0.50001396 0.72707717 # 105 H30
0.93067985 0.36438620 0.54593078 # 106 H42
0.93012703 0.45065213 0.02114771 # 107 H12
0.17479281 0.44881052 0.17878951 # 108 H24