(Si16O32H5)2 VASP MD nPT 20000fs, step 2fs, 573K, create FF on-the-fly
1.0
9.94340000 0.00000000 0.00000000
0.00000000 9.94340000 0.00000000
0.00000000 0.00000000 13.84460000
Si O H
32 64 10
Direct
0.15840317 0.17076789 0.00737658 # 1 Si1
0.40383886 0.08294596 0.37917527 # 2 Si2
0.13505552 0.41979314 0.14205153 # 3 Si3
0.38226648 0.33475303 0.25591050 # 4 Si4
0.16184364 0.17406859 0.50609706 # 5 Si5
0.39462417 0.07887060 0.88074299 # 6 Si6
0.09759869 0.42942047 0.62626840 # 7 Si7
0.34278206 0.33671923 0.75727059 # 8 Si8
0.14907205 0.66825510 0.01126627 # 9 Si9
0.41762015 0.57785811 0.37824854 # 10 Si10
0.07795364 0.92194361 0.13548704 # 11 Si11
0.33156101 0.82668408 0.25161414 # 12 Si12
0.15076947 0.66701544 0.48660972 # 13 Si13
0.40309672 0.57696860 0.88586731 # 14 Si14
0.06740009 0.90858963 0.60708137 # 15 Si15
0.33488386 0.91952701 0.71252860 # 16 Si16
0.66052686 0.16689352 0.99352936 # 17 Si17
0.90611360 0.07658195 0.37943967 # 18 Si18
0.62818652 0.41411020 0.12200593 # 19 Si19
0.86436813 0.26926137 0.19805188 # 20 Si20
0.66172050 0.18168746 0.50316355 # 21 Si21
0.91330322 0.07711454 0.87587211 # 22 Si22
0.59468695 0.43032364 0.62490050 # 23 Si23
0.84667586 0.33398921 0.75146057 # 24 Si24
0.65380819 0.67196460 0.00772853 # 25 Si25
0.88825882 0.58232269 0.38851104 # 26 Si26
0.58180471 0.92803794 0.13107348 # 27 Si27
0.82872696 0.82740678 0.25560772 # 28 Si28
0.63903547 0.69689330 0.49337667 # 29 Si29
0.90512810 0.58070720 0.87945489 # 30 Si30
0.60790542 0.94325929 0.63480710 # 31 Si31
0.83383464 0.83364585 0.75013092 # 32 Si32
0.04457042 0.10403147 0.10402571 # 33 O1
0.28985043 0.17697757 0.29112085 # 34 O2
0.20462895 0.34524634 0.03121214 # 35 O3
0.45980537 0.39711810 0.36413009 # 36 O4
0.50717560 0.28339768 0.16351184 # 37 O5
0.27685668 0.47626714 0.21097952 # 38 O6
0.32255289 0.07588632 0.49980431 # 39 O7
0.06954453 0.17543252 0.38374726 # 40 O8
0.05626329 0.09903778 0.60637070 # 41 O9
0.27935118 0.17088358 0.79728897 # 42 O10
0.21058116 0.35255347 0.53566214 # 43 O11
0.45396467 0.40456081 0.85170009 # 44 O12
0.43895829 0.31760757 0.63820751 # 45 O13
0.18894053 0.44744146 0.74502087 # 46 O14
0.32111737 0.07561031 0.00424637 # 47 O15
0.07431257 0.17371395 0.88458361 # 48 O16
0.03868464 0.57590527 0.10409362 # 49 O17
0.30711269 0.64054213 0.27809562 # 50 O18
0.19312578 0.84571436 0.04690841 # 51 O19
0.44572575 0.90339573 0.34220208 # 52 O20
0.41207483 0.84020854 0.12904056 # 53 O21
0.16079605 0.91285271 0.25653555 # 54 O22
0.33206462 0.60653365 0.49818889 # 55 O23
0.07304566 0.61488376 0.37137837 # 56 O24
0.04715453 0.60103986 0.58738003 # 57 O25
0.28860467 0.64546583 0.79368046 # 58 O26
0.14568631 0.85257050 0.49224529 # 59 O27
0.39853857 0.90977805 0.83567424 # 60 O28
0.45638302 0.83675172 0.63227674 # 61 O29
0.16870191 0.84202131 0.70830977 # 62 O30
0.31497321 0.57184018 0.00553907 # 63 O31
0.06405696 0.68044176 0.88920458 # 64 O32
0.55132612 0.10900825 0.09580066 # 65 O33
0.78753457 0.14548458 0.28543041 # 66 O34
0.69878574 0.35047040 0.00783421 # 67 O35
0.86322453 0.39921500 0.39461663 # 68 O36
0.04377846 0.29605607 0.22411959 # 69 O37
0.76891060 0.42736530 0.20723690 # 70 O38
0.82144967 0.07915608 0.50008602 # 71 O39
0.57046350 0.17780990 0.38297785 # 72 O40
0.55544507 0.11679258 0.60166867 # 73 O41
0.79678981 0.15751184 0.78545081 # 74 O42
0.70690346 0.35970608 0.53032685 # 75 O43
0.95685112 0.40547773 0.84540338 # 76 O44
0.93916428 0.32439801 0.63376347 # 77 O45
0.68912114 0.44267047 0.74297298 # 78 O46
0.82446892 0.06939454 0.99498946 # 79 O47
0.57173311 0.14800067 0.87435699 # 80 O48
0.54955142 0.58390207 0.10063220 # 81 O49
0.79064796 0.64812239 0.28387166 # 82 O50
0.69961319 0.84854832 0.04380689 # 83 O51
0.94585929 0.89781186 0.34882973 # 84 O52
0.91188487 0.83170870 0.13428577 # 85 O53
0.66268664 0.92360588 0.25461330 # 86 O54
0.82385724 0.65877128 0.50323457 # 87 O55
0.57954911 0.66081874 0.37253670 # 88 O56
0.53467869 0.60471377 0.58839109 # 89 O57
0.79042567 0.65444786 0.78445021 # 90 O58
0.61047337 0.87773105 0.50702872 # 91 O59
0.95979293 0.90287245 0.83490854 # 92 O60
0.89541904 0.83650487 0.61986290 # 93 O61
0.68050955 0.93839924 0.75646485 # 94 O62
0.81631824 0.57249384 0.99854081 # 95 O63
0.56103686 0.68151059 0.88977086 # 96 O64
0.70864162 0.89530025 0.56954182 # 97 H1
0.66253212 0.92937052 0.45213010 # 98 H3
0.85112706 0.21766734 0.10212882 # 99 H4
0.84112896 0.36238016 0.32531203 # 100 H8
0.32324174 0.05783447 0.68543198 # 101 H5
0.19038297 0.61188092 0.80736330 # 102 H11
0.32123473 0.65664749 0.35236078 # 103 H15
0.26951663 0.86117589 0.16178478 # 104 H9
0.85000166 0.32218216 0.64854761 # 105 H30
0.94467374 0.32730096 0.55805362 # 106 H42