SiO2 and 5 H atoms MD (nPT MLFF, continue job 2335) 1.0 12.48821289 0.00000000 0.00000000 -0.34980086 12.18303628 0.00000000 -0.27260394 0.28861690 10.90532106 Si O H 72 144 5 Direct 0.09850863 0.00522732 0.00258081 # 1 Si1 0.25808567 0.17335102 0.12237112 # 2 Si2 0.09804603 0.00638732 0.25031781 # 3 Si3 0.26598053 0.17185194 0.36962802 # 4 Si4 0.09850863 0.00522732 0.50258081 # 5 Si5 0.25808567 0.17335102 0.62237112 # 6 Si6 0.09804603 0.00638732 0.75031781 # 7 Si7 0.26598053 0.17185194 0.86962802 # 8 Si8 0.09850863 0.33856065 0.00258081 # 9 Si9 0.25808567 0.50668436 0.12237112 # 10 Si10 0.09804603 0.33972066 0.25031781 # 11 Si11 0.26598053 0.50518527 0.36962802 # 12 Si12 0.09850863 0.33856065 0.50258081 # 13 Si13 0.25808567 0.50668436 0.62237112 # 14 Si14 0.09804603 0.33972066 0.75031781 # 15 Si15 0.26598053 0.50518527 0.86962802 # 16 Si16 0.09850863 0.67189399 0.00258081 # 17 Si17 0.25808567 0.84001769 0.12237112 # 18 Si18 0.09804603 0.67305399 0.25031781 # 19 Si19 0.26598053 0.83851860 0.36962802 # 20 Si20 0.09850863 0.67189399 0.50258081 # 21 Si21 0.25808567 0.84001769 0.62237112 # 22 Si22 0.09804603 0.67305399 0.75031781 # 23 Si23 0.26598053 0.83851860 0.86962802 # 24 Si24 0.43184196 0.00522732 0.00258081 # 25 Si25 0.59141900 0.17335102 0.12237112 # 26 Si26 0.43137937 0.00638732 0.25031781 # 27 Si27 0.59931386 0.17185194 0.36962802 # 28 Si28 0.43184196 0.00522732 0.50258081 # 29 Si29 0.59141900 0.17335102 0.62237112 # 30 Si30 0.43137937 0.00638732 0.75031781 # 31 Si31 0.59931386 0.17185194 0.86962802 # 32 Si32 0.43184196 0.33856065 0.00258081 # 33 Si33 0.59141900 0.50668436 0.12237112 # 34 Si34 0.43137937 0.33972066 0.25031781 # 35 Si35 0.59931386 0.50518527 0.36962802 # 36 Si36 0.43184196 0.33856065 0.50258081 # 37 Si37 0.59141900 0.50668436 0.62237112 # 38 Si38 0.43137937 0.33972066 0.75031781 # 39 Si39 0.59931386 0.50518527 0.86962802 # 40 Si40 0.43184196 0.67189399 0.00258081 # 41 Si41 0.59141900 0.84001769 0.12237112 # 42 Si42 0.43137937 0.67305399 0.25031781 # 43 Si43 0.59931386 0.83851860 0.36962802 # 44 Si44 0.43184196 0.67189399 0.50258081 # 45 Si45 0.59141900 0.84001769 0.62237112 # 46 Si46 0.43137937 0.67305399 0.75031781 # 47 Si47 0.59931386 0.83851860 0.86962802 # 48 Si48 0.76517530 0.00522732 0.00258081 # 49 Si49 0.92475234 0.17335102 0.12237112 # 50 Si50 0.76471270 0.00638732 0.25031781 # 51 Si51 0.93264719 0.17185194 0.36962802 # 52 Si52 0.76517530 0.00522732 0.50258081 # 53 Si53 0.92475234 0.17335102 0.62237112 # 54 Si54 0.76471270 0.00638732 0.75031781 # 55 Si55 0.93264719 0.17185194 0.86962802 # 56 Si56 0.76517530 0.33856065 0.00258081 # 57 Si57 0.92475234 0.50668436 0.12237112 # 58 Si58 0.76471270 0.33972066 0.25031781 # 59 Si59 0.93264719 0.50518527 0.36962802 # 60 Si60 0.76517530 0.33856065 0.50258081 # 61 Si61 0.92475234 0.50668436 0.62237112 # 62 Si62 0.76471270 0.33972066 0.75031781 # 63 Si63 0.93264719 0.50518527 0.86962802 # 64 Si64 0.76517530 0.67189399 0.00258081 # 65 Si65 0.92475234 0.84001769 0.12237112 # 66 Si66 0.76471270 0.67305399 0.25031781 # 67 Si67 0.93264719 0.83851860 0.36962802 # 68 Si68 0.76517530 0.67189399 0.50258081 # 69 Si69 0.92475234 0.84001769 0.62237112 # 70 Si70 0.76471270 0.67305399 0.75031781 # 71 Si71 0.93264719 0.83851860 0.86962802 # 72 Si72 0.20366623 0.10625152 0.49476244 # 73 O1 0.03550164 0.07510590 0.11717824 # 74 O2 0.16695850 0.27525144 0.12901919 # 75 O3 0.32967944 0.24112669 0.49385275 # 76 O4 0.19754445 0.10319981 0.24511711 # 77 O5 0.04004004 0.07832818 0.36934190 # 78 O6 0.15750794 0.26719448 0.37369518 # 79 O7 0.33069209 0.24137469 0.23970396 # 80 O8 0.20366623 0.10625152 0.99476244 # 81 O9 0.03550164 0.07510590 0.61717824 # 82 O10 0.16695850 0.27525144 0.62901919 # 83 O11 0.32967944 0.24112669 0.99385275 # 84 O12 0.19754445 0.10319981 0.74511711 # 85 O13 0.04004004 0.07832818 0.86934190 # 86 O14 0.15750794 0.26719448 0.87369518 # 87 O15 0.33069209 0.24137469 0.73970396 # 88 O16 0.20366623 0.43958485 0.49476244 # 89 O17 0.03550164 0.40843923 0.11717824 # 90 O18 0.16695850 0.60858478 0.12901919 # 91 O19 0.32967944 0.57446002 0.49385275 # 92 O20 0.19754445 0.43653315 0.24511711 # 93 O21 0.04004004 0.41166152 0.36934190 # 94 O22 0.15750794 0.60052782 0.37369518 # 95 O23 0.33069209 0.57470802 0.23970396 # 96 O24 0.20366623 0.43958485 0.99476244 # 97 O25 0.03550164 0.40843923 0.61717824 # 98 O26 0.16695850 0.60858478 0.62901919 # 99 O27 0.32967944 0.57446002 0.99385275 # 100 O28 0.19754445 0.43653315 0.74511711 # 101 O29 0.04004004 0.41166152 0.86934190 # 102 O30 0.15750794 0.60052782 0.87369518 # 103 O31 0.33069209 0.57470802 0.73970396 # 104 O32 0.20366623 0.77291819 0.49476244 # 105 O33 0.03550164 0.74177256 0.11717824 # 106 O34 0.16695850 0.94191811 0.12901919 # 107 O35 0.32967944 0.90779336 0.49385275 # 108 O36 0.19754445 0.76986648 0.24511711 # 109 O37 0.04004004 0.74499485 0.36934190 # 110 O38 0.15750794 0.93386115 0.37369518 # 111 O39 0.33069209 0.90804136 0.23970396 # 112 O40 0.20366623 0.77291819 0.99476244 # 113 O41 0.03550164 0.74177256 0.61717824 # 114 O42 0.16695850 0.94191811 0.62901919 # 115 O43 0.32967944 0.90779336 0.99385275 # 116 O44 0.19754445 0.76986648 0.74511711 # 117 O45 0.04004004 0.74499485 0.86934190 # 118 O46 0.15750794 0.93386115 0.87369518 # 119 O47 0.33069209 0.90804136 0.73970396 # 120 O48 0.53699956 0.10625152 0.49476244 # 121 O49 0.36883498 0.07510590 0.11717824 # 122 O50 0.50029183 0.27525144 0.12901919 # 123 O51 0.66301277 0.24112669 0.49385275 # 124 O52 0.53087778 0.10319981 0.24511711 # 125 O53 0.37337337 0.07832818 0.36934190 # 126 O54 0.49084127 0.26719448 0.37369518 # 127 O55 0.66402542 0.24137469 0.23970396 # 128 O56 0.53699956 0.10625152 0.99476244 # 129 O57 0.36883498 0.07510590 0.61717824 # 130 O58 0.50029183 0.27525144 0.62901919 # 131 O59 0.66301277 0.24112669 0.99385275 # 132 O60 0.53087778 0.10319981 0.74511711 # 133 O61 0.37337337 0.07832818 0.86934190 # 134 O62 0.49084127 0.26719448 0.87369518 # 135 O63 0.66402542 0.24137469 0.73970396 # 136 O64 0.53699956 0.43958485 0.49476244 # 137 O65 0.36883498 0.40843923 0.11717824 # 138 O66 0.50029183 0.60858478 0.12901919 # 139 O67 0.66301277 0.57446002 0.49385275 # 140 O68 0.53087778 0.43653315 0.24511711 # 141 O69 0.37337337 0.41166152 0.36934190 # 142 O70 0.49084127 0.60052782 0.37369518 # 143 O71 0.66402542 0.57470802 0.23970396 # 144 O72 0.53699956 0.43958485 0.99476244 # 145 O73 0.36883498 0.40843923 0.61717824 # 146 O74 0.50029183 0.60858478 0.62901919 # 147 O75 0.66301277 0.57446002 0.99385275 # 148 O76 0.53087778 0.43653315 0.74511711 # 149 O77 0.37337337 0.41166152 0.86934190 # 150 O78 0.49084127 0.60052782 0.87369518 # 151 O79 0.66402542 0.57470802 0.73970396 # 152 O80 0.53699956 0.77291819 0.49476244 # 153 O81 0.36883498 0.74177256 0.11717824 # 154 O82 0.50029183 0.94191811 0.12901919 # 155 O83 0.66301277 0.90779336 0.49385275 # 156 O84 0.53087778 0.76986648 0.24511711 # 157 O85 0.37337337 0.74499485 0.36934190 # 158 O86 0.49084127 0.93386115 0.37369518 # 159 O87 0.66402542 0.90804136 0.23970396 # 160 O88 0.53699956 0.77291819 0.99476244 # 161 O89 0.36883498 0.74177256 0.61717824 # 162 O90 0.50029183 0.94191811 0.62901919 # 163 O91 0.66301277 0.90779336 0.99385275 # 164 O92 0.53087778 0.76986648 0.74511711 # 165 O93 0.37337337 0.74499485 0.86934190 # 166 O94 0.49084127 0.93386115 0.87369518 # 167 O95 0.66402542 0.90804136 0.73970396 # 168 O96 0.87033289 0.10625152 0.49476244 # 169 O97 0.70216831 0.07510590 0.11717824 # 170 O98 0.83362516 0.27525144 0.12901919 # 171 O99 0.99634610 0.24112669 0.49385275 # 172 O100 0.86421112 0.10319981 0.24511711 # 173 O101 0.70670671 0.07832818 0.36934190 # 174 O102 0.82417460 0.26719448 0.37369518 # 175 O103 0.99735876 0.24137469 0.23970396 # 176 O104 0.87033289 0.10625152 0.99476244 # 177 O105 0.70216831 0.07510590 0.61717824 # 178 O106 0.83362516 0.27525144 0.62901919 # 179 O107 0.99634610 0.24112669 0.99385275 # 180 O108 0.86421112 0.10319981 0.74511711 # 181 O109 0.70670671 0.07832818 0.86934190 # 182 O110 0.82417460 0.26719448 0.87369518 # 183 O111 0.99735876 0.24137469 0.73970396 # 184 O112 0.87033289 0.43958485 0.49476244 # 185 O113 0.70216831 0.40843923 0.11717824 # 186 O114 0.83362516 0.60858478 0.12901919 # 187 O115 0.99634610 0.57446002 0.49385275 # 188 O116 0.86421112 0.43653315 0.24511711 # 189 O117 0.70670671 0.41166152 0.36934190 # 190 O118 0.82417460 0.60052782 0.37369518 # 191 O119 0.99735876 0.57470802 0.23970396 # 192 O120 0.87033289 0.43958485 0.99476244 # 193 O121 0.70216831 0.40843923 0.61717824 # 194 O122 0.83362516 0.60858478 0.62901919 # 195 O123 0.99634610 0.57446002 0.99385275 # 196 O124 0.86421112 0.43653315 0.74511711 # 197 O125 0.70670671 0.41166152 0.86934190 # 198 O126 0.82417460 0.60052782 0.87369518 # 199 O127 0.99735876 0.57470802 0.73970396 # 200 O128 0.87033289 0.77291819 0.49476244 # 201 O129 0.70216831 0.74177256 0.11717824 # 202 O130 0.83362516 0.94191811 0.12901919 # 203 O131 0.99634610 0.90779336 0.49385275 # 204 O132 0.86421112 0.76986648 0.24511711 # 205 O133 0.70670671 0.74499485 0.36934190 # 206 O134 0.82417460 0.93386115 0.37369518 # 207 O135 0.99735876 0.90804136 0.23970396 # 208 O136 0.87033289 0.77291819 0.99476244 # 209 O137 0.70216831 0.74177256 0.61717824 # 210 O138 0.83362516 0.94191811 0.62901919 # 211 O139 0.99634610 0.90779336 0.99385275 # 212 O140 0.86421112 0.76986648 0.74511711 # 213 O141 0.70670671 0.74499485 0.86934190 # 214 O142 0.82417460 0.93386115 0.87369518 # 215 O143 0.99735876 0.90804136 0.73970396 # 216 O144 0.15711563 0.26121670 0.46985288 # 217 H1 0.20067616 0.76598820 0.84137499 # 218 H3 0.49450858 0.60234406 0.03329104 # 219 H6 0.37238652 0.41548733 0.27308102 # 220 H10 0.82378230 0.26121670 0.46985288 # 221 H15