element(s): ['O', 'Si'] AFLOW prototype label: A2B_aP12_1_8a_4a Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 3 Parameter values for parameter set 0: ['4.8148', '1.0090554', '1.2337792', '90.6769', '93.4213', '104.9604', '0.83444658', '0.74316558', '0.34789913', '0.31031066', '0.56129773', '0.4409883', '0.2622917', '0.99750129', '0.65820089', '0.99658833', '0.21559092', '0.17096706', '0.70388831', '0.8997527', '0.88210274', '0.49799755', '0.35970518', '0.017010708', '0.18151059', '0.74077863', '0.040367867', '0.83099114', '0.40874711', '0.68029927', '0.92167637', '0.88407129', '0.10373225', '0.054298238', '0.67769524', '0.55407388', '0.27578218', '0.47620465', '0.16974965', '0.57041835', '0.17076969', '0.80067824'] Parameter values for parameter set 1: ['5.8657', '1.2285831', '0.88604941', '90.2824', '90.3358', '89.1585', '0.41459729', '0.0082198577', '0.029490745', '0.58625089', '0.9918205', '0.50884854', '0.012148495', '0.77078629', '0.28170374', '0.98828716', '0.22919128', '0.78031836', '0.20125141', '0.28788392', '0.28417671', '0.79932241', '0.71162227', '0.78413436', '0.20658201', '0.70532472', '0.78417706', '0.79242869', '0.29549605', '0.27851723', '0.99595039', '0.34010478', '0.50398068', '0.0044277995', '0.65861506', '0.0050105426', '0.0019353736', '0.66366922', '0.56105863', '0.99681808', '0.33726605', '0.060483403'] Parameter values for parameter set 2: ['5.1347', '0.82078797', '1.4132666', '85.4688', '90.8162', '94.3029', '0.26152311', '0.036363248', '0.47375313', '0.31276043', '0.7767732', '0.35014332', '0.91432073', '0.44746606', '0.523864', '0.48075394', '0.4523015', '0.75993705', '0.72084256', '0.97188126', '0.73971897', '0.69888876', '0.71358261', '0.064416172', '0.076492034', '0.34730142', '0.1688373', '0.21668388', '0.85548518', '0.93675313', '0.9768157', '0.5784031', '0.99226111', '0.50670267', '0.76834979', '0.87917566', '0.15030203', '0.39754504', '0.38406876', '0.78917417', '0.35432758', '0.72707139'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.83444658 0.74316558 0.34789913] [0.31031066 0.56129773 0.4409883 ] [0.2622917 0.99750129 0.65820089] [0.99658833 0.21559092 0.17096706] [0.70388831 0.8997527 0.88210274] [0.49799755 0.35970518 0.01701071] [0.18151059 0.74077863 0.04036787] [0.83099114 0.40874711 0.68029927] [0.92167637 0.88407129 0.10373225] [0.05429824 0.67769524 0.55407388] [0.27578218 0.47620465 0.16974965] [0.57041835 0.17076969 0.80067824]] spacegroup = 1 cell = [[4.8148, 0, 0], [-1.2542026807833, 4.6937219981073, 0], [-0.35450804425506, -0.16736884359099, 5.9274500315695]] ========================================= Step Time Energy fmax BFGS: 0 17:04:01 -16.522155 1.634802 BFGS: 1 17:04:02 -16.661345 1.334412 BFGS: 2 17:04:02 -16.843956 0.750759 BFGS: 3 17:04:02 -16.904478 0.487674 BFGS: 4 17:04:02 -16.920830 0.383142 BFGS: 5 17:04:02 -16.962607 0.294417 BFGS: 6 17:04:02 -16.973361 0.302003 BFGS: 7 17:04:02 -16.987525 0.318631 BFGS: 8 17:04:02 -17.007888 0.354435 BFGS: 9 17:04:02 -17.028363 0.346935 BFGS: 10 17:04:02 -17.041982 0.264500 BFGS: 11 17:04:02 -17.048601 0.187996 BFGS: 12 17:04:02 -17.054925 0.197159 BFGS: 13 17:04:02 -17.062830 0.190275 BFGS: 14 17:04:02 -17.068876 0.181603 BFGS: 15 17:04:02 -17.073379 0.167608 BFGS: 16 17:04:02 -17.078316 0.177563 BFGS: 17 17:04:02 -17.084150 0.174724 BFGS: 18 17:04:02 -17.089801 0.163103 BFGS: 19 17:04:02 -17.094399 0.171616 BFGS: 20 17:04:02 -17.098299 0.166015 BFGS: 21 17:04:02 -17.102479 0.163686 BFGS: 22 17:04:02 -17.107295 0.149317 BFGS: 23 17:04:02 -17.111294 0.140431 BFGS: 24 17:04:02 -17.114086 0.120299 BFGS: 25 17:04:03 -17.116803 0.141170 BFGS: 26 17:04:03 -17.120430 0.154505 BFGS: 27 17:04:03 -17.125029 0.222769 BFGS: 28 17:04:03 -17.130135 0.281421 BFGS: 29 17:04:03 -17.136575 0.338065 BFGS: 30 17:04:03 -17.147125 0.421292 BFGS: 31 17:04:03 -17.161936 0.495494 BFGS: 32 17:04:03 -17.180563 0.501727 BFGS: 33 17:04:03 -17.204404 0.534574 BFGS: 34 17:04:03 -17.225139 0.468755 BFGS: 35 17:04:03 -17.243907 0.429410 BFGS: 36 17:04:03 -17.260313 0.375389 BFGS: 37 17:04:03 -17.279360 0.331882 BFGS: 38 17:04:03 -17.296092 0.268485 BFGS: 39 17:04:03 -17.312047 0.264034 BFGS: 40 17:04:03 -17.323095 0.279027 BFGS: 41 17:04:03 -17.334407 0.315767 BFGS: 42 17:04:03 -17.347574 0.318210 BFGS: 43 17:04:03 -17.364053 0.251306 BFGS: 44 17:04:03 -17.373585 0.277322 BFGS: 45 17:04:03 -17.383143 0.226312 BFGS: 46 17:04:03 -17.391083 0.238096 BFGS: 47 17:04:04 -17.402455 0.281660 BFGS: 48 17:04:04 -17.411666 0.242724 BFGS: 49 17:04:04 -17.423805 0.300840 BFGS: 50 17:04:04 -17.435046 0.311163 BFGS: 51 17:04:04 -17.448628 0.322275 BFGS: 52 17:04:04 -17.459187 0.278566 BFGS: 53 17:04:04 -17.469342 0.231951 BFGS: 54 17:04:04 -17.477122 0.178515 BFGS: 55 17:04:04 -17.483767 0.169333 BFGS: 56 17:04:04 -17.487572 0.159149 BFGS: 57 17:04:04 -17.492098 0.147921 BFGS: 58 17:04:04 -17.495433 0.123408 BFGS: 59 17:04:04 -17.498959 0.182023 BFGS: 60 17:04:04 -17.502556 0.203631 BFGS: 61 17:04:04 -17.507354 0.152857 BFGS: 62 17:04:04 -17.512772 0.185452 BFGS: 63 17:04:04 -17.518737 0.181517 BFGS: 64 17:04:04 -17.524842 0.202787 BFGS: 65 17:04:04 -17.531618 0.244864 BFGS: 66 17:04:04 -17.538852 0.267191 BFGS: 67 17:04:04 -17.546642 0.252609 BFGS: 68 17:04:04 -17.554316 0.200233 BFGS: 69 17:04:04 -17.560075 0.203709 BFGS: 70 17:04:04 -17.565313 0.205498 BFGS: 71 17:04:04 -17.570189 0.189777 BFGS: 72 17:04:04 -17.574137 0.184438 BFGS: 73 17:04:05 -17.578318 0.163509 BFGS: 74 17:04:05 -17.582408 0.164084 BFGS: 75 17:04:05 -17.585697 0.124041 BFGS: 76 17:04:05 -17.588276 0.126904 BFGS: 77 17:04:05 -17.590382 0.093418 BFGS: 78 17:04:05 -17.592355 0.104647 BFGS: 79 17:04:05 -17.594739 0.137252 BFGS: 80 17:04:05 -17.597519 0.168732 BFGS: 81 17:04:05 -17.600498 0.159206 BFGS: 82 17:04:05 -17.603207 0.137962 BFGS: 83 17:04:05 -17.605661 0.134565 BFGS: 84 17:04:05 -17.607879 0.128830 BFGS: 85 17:04:05 -17.609993 0.120446 BFGS: 86 17:04:05 -17.612095 0.108744 BFGS: 87 17:04:05 -17.614211 0.112821 BFGS: 88 17:04:05 -17.616399 0.122892 BFGS: 89 17:04:05 -17.618474 0.132032 BFGS: 90 17:04:05 -17.620558 0.140794 BFGS: 91 17:04:05 -17.622656 0.149329 BFGS: 92 17:04:05 -17.624775 0.157949 BFGS: 93 17:04:06 -17.627117 0.166169 BFGS: 94 17:04:06 -17.629821 0.173636 BFGS: 95 17:04:06 -17.633082 0.180765 BFGS: 96 17:04:06 -17.636775 0.186110 BFGS: 97 17:04:06 -17.640922 0.191151 BFGS: 98 17:04:06 -17.645515 0.194253 BFGS: 99 17:04:06 -17.650569 0.197505 BFGS: 100 17:04:06 -17.656093 0.198086 BFGS: 101 17:04:06 -17.662051 0.196692 BFGS: 102 17:04:06 -17.668403 0.194991 BFGS: 103 17:04:06 -17.675113 0.197014 BFGS: 104 17:04:06 -17.682127 0.198506 BFGS: 105 17:04:06 -17.689368 0.199821 BFGS: 106 17:04:06 -17.696821 0.199851 BFGS: 107 17:04:06 -17.704403 0.200041 BFGS: 108 17:04:06 -17.712098 0.197818 BFGS: 109 17:04:07 -17.718783 0.201930 BFGS: 110 17:04:07 -17.726788 0.187808 BFGS: 111 17:04:07 -17.734532 0.187930 BFGS: 112 17:04:07 -17.742092 0.187548 BFGS: 113 17:04:07 -17.749396 0.186961 BFGS: 114 17:04:07 -17.756436 0.185220 BFGS: 115 17:04:07 -17.763084 0.182745 BFGS: 116 17:04:07 -17.769410 0.178734 BFGS: 117 17:04:07 -17.775292 0.174442 BFGS: 118 17:04:07 -17.780873 0.168430 BFGS: 119 17:04:07 -17.786021 0.162586 BFGS: 120 17:04:07 -17.790882 0.155386 BFGS: 121 17:04:07 -17.795393 0.148931 BFGS: 122 17:04:07 -17.799578 0.141012 BFGS: 123 17:04:07 -17.803402 0.134742 BFGS: 124 17:04:07 -17.806903 0.133887 BFGS: 125 17:04:08 -17.810102 0.132799 BFGS: 126 17:04:08 -17.813035 0.132114 BFGS: 127 17:04:08 -17.815740 0.138084 BFGS: 128 17:04:08 -17.818226 0.139838 BFGS: 129 17:04:08 -17.820566 0.145220 BFGS: 130 17:04:08 -17.822798 0.142389 BFGS: 131 17:04:08 -17.824993 0.146304 BFGS: 132 17:04:08 -17.827215 0.139968 BFGS: 133 17:04:08 -17.829588 0.138880 BFGS: 134 17:04:08 -17.832196 0.129465 BFGS: 135 17:04:08 -17.835149 0.123108 BFGS: 136 17:04:08 -17.838546 0.108733 BFGS: 137 17:04:08 -17.842456 0.098649 BFGS: 138 17:04:08 -17.846938 0.117007 BFGS: 139 17:04:08 -17.851898 0.142302 BFGS: 140 17:04:08 -17.857239 0.167231 BFGS: 141 17:04:09 -17.861947 0.175691 BFGS: 142 17:04:09 -17.866698 0.158951 BFGS: 143 17:04:09 -17.872287 0.172546 BFGS: 144 17:04:09 -17.878735 0.175372 BFGS: 145 17:04:09 -17.883009 0.152081 BFGS: 146 17:04:09 -17.885765 0.134665 BFGS: 147 17:04:09 -17.888132 0.118281 BFGS: 148 17:04:09 -17.890320 0.110830 BFGS: 149 17:04:09 -17.892396 0.109437 BFGS: 150 17:04:09 -17.894397 0.107821 BFGS: 151 17:04:09 -17.896326 0.104495 BFGS: 152 17:04:09 -17.898225 0.100466 BFGS: 153 17:04:09 -17.900084 0.096457 BFGS: 154 17:04:10 -17.901906 0.093306 BFGS: 155 17:04:10 -17.903757 0.089744 BFGS: 156 17:04:10 -17.905652 0.087254 BFGS: 157 17:04:10 -17.907631 0.086921 BFGS: 158 17:04:10 -17.909756 0.090686 BFGS: 159 17:04:10 -17.912133 0.100644 BFGS: 160 17:04:10 -17.914987 0.120074 BFGS: 161 17:04:10 -17.918013 0.140807 BFGS: 162 17:04:10 -17.920899 0.139692 BFGS: 163 17:04:10 -17.923070 0.119273 BFGS: 164 17:04:10 -17.924895 0.087517 BFGS: 165 17:04:10 -17.926512 0.070048 BFGS: 166 17:04:10 -17.927804 0.063691 BFGS: 167 17:04:11 -17.928713 0.060889 BFGS: 168 17:04:11 -17.929980 0.083490 BFGS: 169 17:04:11 -17.930787 0.087104 BFGS: 170 17:04:11 -17.931489 0.079014 BFGS: 171 17:04:11 -17.932248 0.065862 BFGS: 172 17:04:11 -17.933233 0.072260 BFGS: 173 17:04:11 -17.934490 0.081057 BFGS: 174 17:04:11 -17.936135 0.089353 BFGS: 175 17:04:11 -17.937681 0.103909 BFGS: 176 17:04:11 -17.939115 0.088096 BFGS: 177 17:04:12 -17.940440 0.070081 BFGS: 178 17:04:12 -17.941704 0.093263 BFGS: 179 17:04:12 -17.942509 0.083937 BFGS: 180 17:04:12 -17.943153 0.073335 BFGS: 181 17:04:12 -17.943686 0.051590 BFGS: 182 17:04:12 -17.944092 0.043071 BFGS: 183 17:04:12 -17.944342 0.037687 BFGS: 184 17:04:12 -17.944492 0.033304 BFGS: 185 17:04:12 -17.944705 0.027670 BFGS: 186 17:04:12 -17.944831 0.025904 BFGS: 187 17:04:12 -17.944968 0.024089 BFGS: 188 17:04:12 -17.945140 0.023204 BFGS: 189 17:04:12 -17.945352 0.022838 BFGS: 190 17:04:12 -17.945521 0.025436 BFGS: 191 17:04:12 -17.945642 0.025051 BFGS: 192 17:04:12 -17.945773 0.025504 BFGS: 193 17:04:12 -17.945988 0.035052 BFGS: 194 17:04:12 -17.946355 0.047086 BFGS: 195 17:04:12 -17.946935 0.066719 BFGS: 196 17:04:12 -17.947851 0.077455 BFGS: 197 17:04:12 -17.949008 0.077776 BFGS: 198 17:04:12 -17.950144 0.072149 BFGS: 199 17:04:12 -17.951078 0.060563 BFGS: 200 17:04:13 -17.951729 0.045331 BFGS: 201 17:04:13 -17.952206 0.044309 BFGS: 202 17:04:13 -17.952601 0.050437 BFGS: 203 17:04:13 -17.952993 0.054824 BFGS: 204 17:04:13 -17.953532 0.056444 BFGS: 205 17:04:13 -17.954269 0.056394 BFGS: 206 17:04:13 -17.955085 0.069865 BFGS: 207 17:04:13 -17.956196 0.080687 BFGS: 208 17:04:13 -17.957279 0.074482 BFGS: 209 17:04:13 -17.958463 0.077174 BFGS: 210 17:04:14 -17.959776 0.062563 BFGS: 211 17:04:14 -17.961606 0.061290 BFGS: 212 17:04:14 -17.962987 0.063520 BFGS: 213 17:04:14 -17.963912 0.062039 BFGS: 214 17:04:14 -17.964572 0.056193 BFGS: 215 17:04:14 -17.965201 0.054245 BFGS: 216 17:04:14 -17.965911 0.059351 BFGS: 217 17:04:14 -17.966697 0.053944 BFGS: 218 17:04:14 -17.967592 0.079797 BFGS: 219 17:04:14 -17.968286 0.073239 BFGS: 220 17:04:14 -17.969070 0.061496 BFGS: 221 17:04:14 -17.969745 0.059152 BFGS: 222 17:04:14 -17.970346 0.054307 BFGS: 223 17:04:14 -17.971068 0.065924 BFGS: 224 17:04:14 -17.972089 0.058523 BFGS: 225 17:04:15 -17.972630 0.055283 BFGS: 226 17:04:15 -17.973019 0.037122 BFGS: 227 17:04:15 -17.973261 0.027936 BFGS: 228 17:04:15 -17.973439 0.030835 BFGS: 229 17:04:15 -17.973588 0.028417 BFGS: 230 17:04:15 -17.973764 0.028320 BFGS: 231 17:04:15 -17.973976 0.027852 BFGS: 232 17:04:15 -17.974221 0.034544 BFGS: 233 17:04:15 -17.974488 0.049792 BFGS: 234 17:04:15 -17.974805 0.060630 BFGS: 235 17:04:15 -17.975269 0.067820 BFGS: 236 17:04:15 -17.976047 0.076026 BFGS: 237 17:04:15 -17.977058 0.082999 BFGS: 238 17:04:15 -17.978204 0.073781 BFGS: 239 17:04:15 -17.978829 0.036140 BFGS: 240 17:04:15 -17.978967 0.017693 BFGS: 241 17:04:15 -17.978995 0.011795 BFGS: 242 17:04:15 -17.979005 0.012038 BFGS: 243 17:04:15 -17.979025 0.012059 BFGS: 244 17:04:15 -17.979063 0.017320 BFGS: 245 17:04:16 -17.979128 0.027713 BFGS: 246 17:04:16 -17.979233 0.034766 BFGS: 247 17:04:16 -17.979376 0.033927 BFGS: 248 17:04:16 -17.979532 0.031074 BFGS: 249 17:04:16 -17.979658 0.022144 BFGS: 250 17:04:16 -17.979735 0.018889 BFGS: 251 17:04:16 -17.979773 0.011098 BFGS: 252 17:04:16 -17.979790 0.006096 BFGS: 253 17:04:16 -17.979797 0.004129 BFGS: 254 17:04:16 -17.979801 0.003103 BFGS: 255 17:04:16 -17.979803 0.002301 BFGS: 256 17:04:16 -17.979804 0.001625 BFGS: 257 17:04:16 -17.979804 0.000789 BFGS: 258 17:04:16 -17.979804 0.000283 BFGS: 259 17:04:16 -17.979804 0.000103 BFGS: 260 17:04:16 -17.979804 0.000024 BFGS: 261 17:04:17 -17.979804 0.000010 BFGS: 262 17:04:17 -17.979804 0.000004 BFGS: 263 17:04:17 -17.979804 0.000002 BFGS: 264 17:04:17 -17.979804 0.000001 BFGS: 265 17:04:17 -17.979804 0.000000 BFGS: 266 17:04:17 -17.979804 0.000000 BFGS: 267 17:04:17 -17.979804 0.000000 BFGS: 268 17:04:17 -17.979804 0.000000 BFGS: 269 17:04:17 -17.979804 0.000000 BFGS: 270 17:04:17 -17.979804 0.000000 Minimization converged after 270 steps. Maximum force component: 4.057299844197042e-09 eV/Angstrom Maximum stress component: 3.3204559794680506e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] basis = [[0.07768898 0.98430244 0.35077697] [0.26557282 0.53196247 0.35447844] [0.35438411 0.90826839 0.72883713] [0.06620093 0.16368532 0.03049103] [0.72857507 0.98807597 0.02306682] [0.40647038 0.33020403 0.04002418] [0.06308642 0.65762364 0.00850322] [0.56444556 0.27694346 0.74670573] [0.97715523 0.95662984 0.09685718] [0.21816329 0.799439 0.49781836] [0.20305663 0.41012416 0.10319439] [0.51540058 0.12802129 0.88531653]] cellpar = Cell([[6.666311895805517, 1.5957421750918253, -0.7264117563808328], [-0.3281453211398597, 5.22088788465539, -0.49149023526922797], [-1.7152079118312904, -1.4631019480852065, 6.667776844088137]]) forces = [[-1.33248948e-09 1.74075153e-09 -9.19905493e-10] [ 7.04174636e-10 -9.77188934e-10 1.07690908e-09] [ 1.47741149e-09 1.96408160e-09 -7.29573140e-10] [ 1.29351806e-09 2.24131099e-09 8.89850911e-10] [-3.14735751e-09 -1.58668474e-09 -5.61840997e-10] [ 5.14020779e-10 -4.38706667e-10 -5.60246182e-10] [-1.85215340e-09 1.98806135e-09 9.41616590e-10] [-8.68046109e-10 -1.89906833e-09 -2.17743376e-09] [ 1.28509496e-09 -2.59535566e-09 -2.65115146e-09] [-8.60215683e-11 -1.34726716e-09 4.68089875e-10] [-8.41690181e-10 -1.64097992e-09 1.66384241e-10] [ 2.85353821e-09 2.55104545e-09 4.05729984e-09]] stress = [-1.71156191e-11 -2.74563640e-11 -3.32045598e-11 1.67958597e-12 6.92477238e-12 5.66116401e-12] energy per atom = -1.498317027616375 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.41459729 0.00821986 0.02949074] [0.58625089 0.9918205 0.50884854] [0.0121485 0.77078629 0.28170374] [0.98828716 0.22919128 0.78031836] [0.20125141 0.28788392 0.28417671] [0.79932241 0.71162227 0.78413436] [0.20658201 0.70532472 0.78417706] [0.79242869 0.29549605 0.27851723] [0.99595039 0.34010478 0.50398068] [0.0044278 0.65861506 0.00501054] [0.00193537 0.66366922 0.56105863] [0.99681808 0.33726605 0.0604834 ]] spacegroup = 1 cell = [[5.8657, 0, 0], [0.10583766879423, 7.2057227699839, 0], [-0.030460242683106, -0.025171762455893, 5.1971497809848]] ========================================= Step Time Energy fmax BFGS: 0 17:04:21 -3.142764 6.069567 BFGS: 1 17:04:21 -4.539749 5.076637 BFGS: 2 17:04:21 -5.736200 3.887813 BFGS: 3 17:04:21 -6.646590 2.389848 BFGS: 4 17:04:21 -7.220819 2.196006 BFGS: 5 17:04:21 -7.506322 2.286947 BFGS: 6 17:04:21 -7.731650 2.232026 BFGS: 7 17:04:21 -7.932425 2.113289 BFGS: 8 17:04:21 -8.106685 1.974613 BFGS: 9 17:04:21 -8.255453 1.837367 BFGS: 10 17:04:21 -8.383524 1.710324 BFGS: 11 17:04:21 -8.496521 1.596104 BFGS: 12 17:04:21 -8.599405 1.494594 BFGS: 13 17:04:21 -8.696203 1.404657 BFGS: 14 17:04:21 -8.790189 1.324835 BFGS: 15 17:04:22 -8.884059 1.253680 BFGS: 16 17:04:22 -8.979777 1.308834 BFGS: 17 17:04:22 -9.076796 1.470281 BFGS: 18 17:04:22 -9.177503 1.643275 BFGS: 19 17:04:22 -9.284066 1.827972 BFGS: 20 17:04:22 -9.398728 2.025306 BFGS: 21 17:04:22 -9.524196 2.236047 BFGS: 22 17:04:22 -9.663942 2.459320 BFGS: 23 17:04:22 -9.822375 2.689359 BFGS: 24 17:04:22 -10.004944 2.909873 BFGS: 25 17:04:22 -10.217739 3.082593 BFGS: 26 17:04:22 -10.465522 3.133776 BFGS: 27 17:04:22 -10.749959 3.012727 BFGS: 28 17:04:22 -11.026960 2.865565 BFGS: 29 17:04:22 -11.256926 2.237174 BFGS: 30 17:04:22 -11.418269 1.408039 BFGS: 31 17:04:22 -11.552381 1.324945 BFGS: 32 17:04:22 -11.689016 1.357314 BFGS: 33 17:04:22 -11.823051 1.443718 BFGS: 34 17:04:23 -11.952934 1.522262 BFGS: 35 17:04:23 -12.078255 1.591475 BFGS: 36 17:04:23 -12.199048 1.648186 BFGS: 37 17:04:23 -12.315504 1.688077 BFGS: 38 17:04:23 -12.428316 1.703624 BFGS: 39 17:04:23 -12.537492 1.687089 BFGS: 40 17:04:23 -12.642293 1.631570 BFGS: 41 17:04:23 -12.741382 1.583740 BFGS: 42 17:04:23 -12.833384 1.578318 BFGS: 43 17:04:23 -12.917624 1.556638 BFGS: 44 17:04:23 -12.994668 1.522975 BFGS: 45 17:04:23 -13.066270 1.496682 BFGS: 46 17:04:23 -13.134787 1.532532 BFGS: 47 17:04:23 -13.202497 1.535830 BFGS: 48 17:04:23 -13.271164 1.503114 BFGS: 49 17:04:23 -13.342005 1.433398 BFGS: 50 17:04:23 -13.415713 1.325621 BFGS: 51 17:04:23 -13.492556 1.176139 BFGS: 52 17:04:23 -13.572218 0.975020 BFGS: 53 17:04:23 -13.654136 0.722225 BFGS: 54 17:04:23 -13.735635 0.600366 BFGS: 55 17:04:23 -13.811440 0.956060 BFGS: 56 17:04:23 -13.891412 1.451913 BFGS: 57 17:04:23 -13.979633 1.889497 BFGS: 58 17:04:23 -14.062671 2.398054 BFGS: 59 17:04:23 -14.151962 2.851365 BFGS: 60 17:04:23 -14.224183 3.299594 BFGS: 61 17:04:23 -14.389596 2.523188 BFGS: 62 17:04:24 -14.501252 2.235230 BFGS: 63 17:04:24 -14.711246 1.391406 BFGS: 64 17:04:24 -14.921254 1.255747 BFGS: 65 17:04:24 -15.080888 1.157683 BFGS: 66 17:04:24 -15.209205 1.144289 BFGS: 67 17:04:24 -15.335206 1.059010 BFGS: 68 17:04:24 -15.423744 0.960920 BFGS: 69 17:04:24 -15.499407 0.927930 BFGS: 70 17:04:24 -15.539381 0.666626 BFGS: 71 17:04:24 -15.571088 0.613027 BFGS: 72 17:04:24 -15.609281 0.588139 BFGS: 73 17:04:24 -15.655771 0.618640 BFGS: 74 17:04:24 -15.705960 0.593661 BFGS: 75 17:04:24 -15.754721 0.589700 BFGS: 76 17:04:24 -15.799190 0.586886 BFGS: 77 17:04:24 -15.838229 0.578866 BFGS: 78 17:04:24 -15.871811 0.577037 BFGS: 79 17:04:24 -15.900559 0.561462 BFGS: 80 17:04:24 -15.925593 0.536323 BFGS: 81 17:04:24 -15.948159 0.501596 BFGS: 82 17:04:24 -15.969480 0.457920 BFGS: 83 17:04:24 -15.990493 0.408892 BFGS: 84 17:04:24 -16.011753 0.396750 BFGS: 85 17:04:24 -16.033492 0.414796 BFGS: 86 17:04:24 -16.055747 0.453688 BFGS: 87 17:04:24 -16.078497 0.503395 BFGS: 88 17:04:24 -16.101717 0.553060 BFGS: 89 17:04:24 -16.125403 0.595155 BFGS: 90 17:04:24 -16.149537 0.624761 BFGS: 91 17:04:24 -16.174093 0.639563 BFGS: 92 17:04:24 -16.198989 0.639050 BFGS: 93 17:04:24 -16.224083 0.621843 BFGS: 94 17:04:24 -16.249243 0.587425 BFGS: 95 17:04:24 -16.274292 0.535192 BFGS: 96 17:04:24 -16.298995 0.469270 BFGS: 97 17:04:24 -16.323127 0.425604 BFGS: 98 17:04:24 -16.346495 0.417050 BFGS: 99 17:04:24 -16.369018 0.416931 BFGS: 100 17:04:25 -16.390968 0.410299 BFGS: 101 17:04:25 -16.413416 0.406584 BFGS: 102 17:04:25 -16.439223 0.431054 BFGS: 103 17:04:25 -16.470906 0.481505 BFGS: 104 17:04:25 -16.507269 0.490929 BFGS: 105 17:04:25 -16.538387 0.464353 BFGS: 106 17:04:25 -16.559084 0.388687 BFGS: 107 17:04:25 -16.577293 0.334686 BFGS: 108 17:04:25 -16.591231 0.301215 BFGS: 109 17:04:25 -16.605136 0.288149 BFGS: 110 17:04:25 -16.618498 0.268100 BFGS: 111 17:04:25 -16.632137 0.264109 BFGS: 112 17:04:25 -16.645073 0.284824 BFGS: 113 17:04:25 -16.654845 0.261369 BFGS: 114 17:04:25 -16.662885 0.147058 BFGS: 115 17:04:25 -16.665860 0.087169 BFGS: 116 17:04:25 -16.666659 0.074505 BFGS: 117 17:04:25 -16.667300 0.069533 BFGS: 118 17:04:25 -16.667909 0.105342 BFGS: 119 17:04:25 -16.668602 0.136329 BFGS: 120 17:04:25 -16.669373 0.154934 BFGS: 121 17:04:25 -16.670322 0.165318 BFGS: 122 17:04:25 -16.671424 0.160892 BFGS: 123 17:04:25 -16.672726 0.164932 BFGS: 124 17:04:26 -16.674336 0.169230 BFGS: 125 17:04:26 -16.676336 0.138879 BFGS: 126 17:04:26 -16.678485 0.109731 BFGS: 127 17:04:26 -16.680349 0.112593 BFGS: 128 17:04:26 -16.681861 0.139757 BFGS: 129 17:04:26 -16.683229 0.143125 BFGS: 130 17:04:26 -16.684523 0.130813 BFGS: 131 17:04:26 -16.685805 0.182145 BFGS: 132 17:04:26 -16.687183 0.189660 BFGS: 133 17:04:26 -16.688661 0.150209 BFGS: 134 17:04:26 -16.690332 0.148453 BFGS: 135 17:04:26 -16.692354 0.174296 BFGS: 136 17:04:26 -16.695104 0.175810 BFGS: 137 17:04:26 -16.699058 0.170722 BFGS: 138 17:04:26 -16.705200 0.226930 BFGS: 139 17:04:26 -16.711945 0.325019 BFGS: 140 17:04:26 -16.719337 0.395928 BFGS: 141 17:04:26 -16.727216 0.444672 BFGS: 142 17:04:26 -16.735445 0.474769 BFGS: 143 17:04:26 -16.745090 0.470472 BFGS: 144 17:04:26 -16.757671 0.387015 BFGS: 145 17:04:26 -16.768640 0.322062 BFGS: 146 17:04:26 -16.779138 0.348806 BFGS: 147 17:04:26 -16.788036 0.317744 BFGS: 148 17:04:26 -16.799922 0.238641 BFGS: 149 17:04:27 -16.815080 0.352862 BFGS: 150 17:04:27 -16.830372 0.452991 BFGS: 151 17:04:27 -16.846392 0.539864 BFGS: 152 17:04:27 -16.881571 0.478465 BFGS: 153 17:04:27 -16.918138 0.435732 BFGS: 154 17:04:27 -16.971471 0.388184 BFGS: 155 17:04:27 -17.025161 0.467383 BFGS: 156 17:04:27 -17.058457 0.533424 BFGS: 157 17:04:27 -17.084169 0.622120 BFGS: 158 17:04:27 -17.108486 0.539872 BFGS: 159 17:04:27 -17.126719 0.442063 BFGS: 160 17:04:27 -17.145630 0.232427 BFGS: 161 17:04:27 -17.154468 0.195371 BFGS: 162 17:04:27 -17.157829 0.168169 BFGS: 163 17:04:27 -17.163788 0.157042 BFGS: 164 17:04:27 -17.166178 0.143987 BFGS: 165 17:04:27 -17.171447 0.151407 BFGS: 166 17:04:27 -17.174985 0.173634 BFGS: 167 17:04:27 -17.177933 0.204873 BFGS: 168 17:04:28 -17.181992 0.214693 BFGS: 169 17:04:28 -17.186531 0.256148 BFGS: 170 17:04:28 -17.191160 0.239043 BFGS: 171 17:04:28 -17.195892 0.201331 BFGS: 172 17:04:28 -17.202348 0.195579 BFGS: 173 17:04:28 -17.210225 0.214497 BFGS: 174 17:04:28 -17.218037 0.218561 BFGS: 175 17:04:28 -17.225907 0.240144 BFGS: 176 17:04:28 -17.233932 0.268653 BFGS: 177 17:04:28 -17.242191 0.312942 BFGS: 178 17:04:28 -17.250326 0.354960 BFGS: 179 17:04:28 -17.258894 0.392166 BFGS: 180 17:04:28 -17.268396 0.422232 BFGS: 181 17:04:28 -17.278919 0.442453 BFGS: 182 17:04:28 -17.290613 0.449729 BFGS: 183 17:04:29 -17.303377 0.445165 BFGS: 184 17:04:29 -17.316744 0.432135 BFGS: 185 17:04:29 -17.331554 0.412775 BFGS: 186 17:04:29 -17.347107 0.429128 BFGS: 187 17:04:29 -17.365743 0.449601 BFGS: 188 17:04:29 -17.383048 0.491370 BFGS: 189 17:04:29 -17.407310 0.511674 BFGS: 190 17:04:29 -17.426292 0.543236 BFGS: 191 17:04:29 -17.453903 0.534343 BFGS: 192 17:04:29 -17.481303 0.495107 BFGS: 193 17:04:29 -17.513239 0.363334 BFGS: 194 17:04:29 -17.529355 0.264245 BFGS: 195 17:04:29 -17.536543 0.291759 BFGS: 196 17:04:29 -17.542218 0.246499 BFGS: 197 17:04:29 -17.546352 0.249510 BFGS: 198 17:04:29 -17.551103 0.211891 BFGS: 199 17:04:29 -17.555635 0.159358 BFGS: 200 17:04:29 -17.559018 0.198921 BFGS: 201 17:04:30 -17.560892 0.125222 BFGS: 202 17:04:30 -17.562434 0.093816 BFGS: 203 17:04:30 -17.564031 0.077056 BFGS: 204 17:04:30 -17.565322 0.073035 BFGS: 205 17:04:30 -17.566396 0.073784 BFGS: 206 17:04:30 -17.567265 0.066751 BFGS: 207 17:04:30 -17.568244 0.070618 BFGS: 208 17:04:30 -17.569254 0.082901 BFGS: 209 17:04:30 -17.570145 0.086830 BFGS: 210 17:04:30 -17.570829 0.077655 BFGS: 211 17:04:30 -17.571412 0.060306 BFGS: 212 17:04:30 -17.572005 0.068103 BFGS: 213 17:04:30 -17.572638 0.064464 BFGS: 214 17:04:30 -17.573239 0.054354 BFGS: 215 17:04:30 -17.573734 0.049340 BFGS: 216 17:04:30 -17.574139 0.044795 BFGS: 217 17:04:30 -17.574501 0.040835 BFGS: 218 17:04:30 -17.574800 0.032819 BFGS: 219 17:04:30 -17.575004 0.031697 BFGS: 220 17:04:31 -17.575151 0.034178 BFGS: 221 17:04:31 -17.575315 0.040427 BFGS: 222 17:04:31 -17.575528 0.054871 BFGS: 223 17:04:31 -17.575767 0.059390 BFGS: 224 17:04:31 -17.575997 0.050974 BFGS: 225 17:04:31 -17.576245 0.049959 BFGS: 226 17:04:31 -17.576612 0.061980 BFGS: 227 17:04:31 -17.577201 0.074475 BFGS: 228 17:04:31 -17.577973 0.069337 BFGS: 229 17:04:31 -17.578657 0.070926 BFGS: 230 17:04:31 -17.579096 0.067969 BFGS: 231 17:04:31 -17.579550 0.060305 BFGS: 232 17:04:31 -17.580191 0.068355 BFGS: 233 17:04:32 -17.581076 0.076614 BFGS: 234 17:04:32 -17.581961 0.080648 BFGS: 235 17:04:32 -17.582888 0.089299 BFGS: 236 17:04:32 -17.584086 0.100376 BFGS: 237 17:04:32 -17.585835 0.132991 BFGS: 238 17:04:32 -17.587838 0.151403 BFGS: 239 17:04:32 -17.590952 0.157816 BFGS: 240 17:04:32 -17.592945 0.146262 BFGS: 241 17:04:32 -17.596063 0.127837 BFGS: 242 17:04:32 -17.598556 0.101306 BFGS: 243 17:04:32 -17.600459 0.102183 BFGS: 244 17:04:32 -17.602173 0.118197 BFGS: 245 17:04:32 -17.604297 0.119712 BFGS: 246 17:04:32 -17.606415 0.090377 BFGS: 247 17:04:32 -17.607580 0.078359 BFGS: 248 17:04:32 -17.608374 0.075812 BFGS: 249 17:04:33 -17.609501 0.094851 BFGS: 250 17:04:33 -17.611010 0.113011 BFGS: 251 17:04:33 -17.613037 0.129002 BFGS: 252 17:04:33 -17.615358 0.123489 BFGS: 253 17:04:33 -17.617513 0.095228 BFGS: 254 17:04:33 -17.619253 0.066202 BFGS: 255 17:04:33 -17.620145 0.062878 BFGS: 256 17:04:33 -17.620732 0.047249 BFGS: 257 17:04:33 -17.621255 0.050664 BFGS: 258 17:04:33 -17.622088 0.051403 BFGS: 259 17:04:33 -17.623004 0.065408 BFGS: 260 17:04:33 -17.624166 0.080613 BFGS: 261 17:04:33 -17.625550 0.077495 BFGS: 262 17:04:33 -17.627640 0.085351 BFGS: 263 17:04:33 -17.630658 0.107610 BFGS: 264 17:04:33 -17.633523 0.125446 BFGS: 265 17:04:33 -17.636166 0.134821 BFGS: 266 17:04:33 -17.638741 0.139162 BFGS: 267 17:04:34 -17.641178 0.141602 BFGS: 268 17:04:34 -17.643544 0.142443 BFGS: 269 17:04:34 -17.645807 0.142493 BFGS: 270 17:04:34 -17.647963 0.141795 BFGS: 271 17:04:34 -17.649996 0.140807 BFGS: 272 17:04:34 -17.651917 0.139750 BFGS: 273 17:04:34 -17.653712 0.139287 BFGS: 274 17:04:34 -17.655453 0.138564 BFGS: 275 17:04:34 -17.657162 0.137349 BFGS: 276 17:04:34 -17.658819 0.135581 BFGS: 277 17:04:34 -17.660416 0.133226 BFGS: 278 17:04:34 -17.661934 0.130961 BFGS: 279 17:04:34 -17.663366 0.129472 BFGS: 280 17:04:34 -17.664840 0.126435 BFGS: 281 17:04:34 -17.666134 0.126064 BFGS: 282 17:04:34 -17.667543 0.122713 BFGS: 283 17:04:34 -17.668848 0.118907 BFGS: 284 17:04:35 -17.670248 0.111959 BFGS: 285 17:04:35 -17.671450 0.108434 BFGS: 286 17:04:35 -17.672651 0.105542 BFGS: 287 17:04:35 -17.673851 0.103386 BFGS: 288 17:04:35 -17.675114 0.103068 BFGS: 289 17:04:35 -17.676524 0.103216 BFGS: 290 17:04:35 -17.678003 0.102964 BFGS: 291 17:04:35 -17.679556 0.105073 BFGS: 292 17:04:35 -17.681055 0.106664 BFGS: 293 17:04:35 -17.682589 0.107607 BFGS: 294 17:04:35 -17.684124 0.107709 BFGS: 295 17:04:35 -17.685646 0.107494 BFGS: 296 17:04:35 -17.687178 0.106278 BFGS: 297 17:04:35 -17.688701 0.104659 BFGS: 298 17:04:35 -17.690187 0.102801 BFGS: 299 17:04:35 -17.691667 0.102220 BFGS: 300 17:04:35 -17.693179 0.101065 BFGS: 301 17:04:36 -17.694656 0.110646 BFGS: 302 17:04:36 -17.695973 0.114246 BFGS: 303 17:04:36 -17.697438 0.113327 BFGS: 304 17:04:36 -17.699023 0.114772 BFGS: 305 17:04:36 -17.701288 0.118724 BFGS: 306 17:04:36 -17.703651 0.141170 BFGS: 307 17:04:36 -17.706905 0.157824 BFGS: 308 17:04:36 -17.711576 0.186214 BFGS: 309 17:04:36 -17.716675 0.160027 BFGS: 310 17:04:36 -17.721544 0.150535 BFGS: 311 17:04:36 -17.726043 0.107087 BFGS: 312 17:04:36 -17.728972 0.107847 BFGS: 313 17:04:36 -17.730264 0.095177 BFGS: 314 17:04:36 -17.731176 0.071920 BFGS: 315 17:04:36 -17.732046 0.068908 BFGS: 316 17:04:36 -17.732984 0.066583 BFGS: 317 17:04:36 -17.734556 0.071639 BFGS: 318 17:04:36 -17.736359 0.084571 BFGS: 319 17:04:36 -17.737998 0.091089 BFGS: 320 17:04:37 -17.739334 0.085367 BFGS: 321 17:04:37 -17.740318 0.070077 BFGS: 322 17:04:37 -17.741086 0.062810 BFGS: 323 17:04:37 -17.741643 0.062300 BFGS: 324 17:04:37 -17.741955 0.056655 BFGS: 325 17:04:37 -17.742158 0.054654 BFGS: 326 17:04:37 -17.742530 0.054078 BFGS: 327 17:04:37 -17.743198 0.065620 BFGS: 328 17:04:37 -17.744637 0.078737 BFGS: 329 17:04:37 -17.746959 0.080200 BFGS: 330 17:04:37 -17.749136 0.060291 BFGS: 331 17:04:37 -17.750438 0.024121 BFGS: 332 17:04:37 -17.750677 0.015297 BFGS: 333 17:04:37 -17.750711 0.014561 BFGS: 334 17:04:37 -17.750724 0.014722 BFGS: 335 17:04:37 -17.750752 0.015007 BFGS: 336 17:04:37 -17.750805 0.015565 BFGS: 337 17:04:37 -17.750911 0.020955 BFGS: 338 17:04:37 -17.751103 0.032303 BFGS: 339 17:04:37 -17.751400 0.048410 BFGS: 340 17:04:37 -17.751777 0.057556 BFGS: 341 17:04:37 -17.752190 0.053024 BFGS: 342 17:04:37 -17.752613 0.039703 BFGS: 343 17:04:37 -17.753069 0.034426 BFGS: 344 17:04:37 -17.753315 0.020453 BFGS: 345 17:04:37 -17.753403 0.007932 BFGS: 346 17:04:37 -17.753418 0.003687 BFGS: 347 17:04:37 -17.753422 0.003876 BFGS: 348 17:04:37 -17.753426 0.004077 BFGS: 349 17:04:37 -17.753430 0.004357 BFGS: 350 17:04:37 -17.753434 0.004271 BFGS: 351 17:04:37 -17.753441 0.004100 BFGS: 352 17:04:37 -17.753465 0.005636 BFGS: 353 17:04:37 -17.753481 0.006464 BFGS: 354 17:04:37 -17.753496 0.004111 BFGS: 355 17:04:37 -17.753501 0.002235 BFGS: 356 17:04:37 -17.753502 0.001623 BFGS: 357 17:04:37 -17.753503 0.001637 BFGS: 358 17:04:37 -17.753503 0.001643 BFGS: 359 17:04:37 -17.753503 0.001634 BFGS: 360 17:04:37 -17.753504 0.002286 BFGS: 361 17:04:37 -17.753507 0.003642 BFGS: 362 17:04:38 -17.753512 0.005128 BFGS: 363 17:04:38 -17.753521 0.005763 BFGS: 364 17:04:38 -17.753530 0.004103 BFGS: 365 17:04:38 -17.753534 0.001535 BFGS: 366 17:04:38 -17.753535 0.001229 BFGS: 367 17:04:38 -17.753535 0.001179 BFGS: 368 17:04:38 -17.753535 0.001120 BFGS: 369 17:04:38 -17.753535 0.001043 BFGS: 370 17:04:38 -17.753536 0.001361 BFGS: 371 17:04:38 -17.753538 0.001682 BFGS: 372 17:04:38 -17.753540 0.001645 BFGS: 373 17:04:38 -17.753542 0.001109 BFGS: 374 17:04:38 -17.753542 0.000505 BFGS: 375 17:04:38 -17.753542 0.000345 BFGS: 376 17:04:39 -17.753542 0.000341 BFGS: 377 17:04:39 -17.753542 0.000338 BFGS: 378 17:04:39 -17.753542 0.000334 BFGS: 379 17:04:39 -17.753542 0.000329 BFGS: 380 17:04:39 -17.753542 0.000350 BFGS: 381 17:04:39 -17.753542 0.000490 BFGS: 382 17:04:39 -17.753543 0.000796 BFGS: 383 17:04:39 -17.753543 0.001330 BFGS: 384 17:04:39 -17.753543 0.002273 BFGS: 385 17:04:39 -17.753544 0.004134 BFGS: 386 17:04:39 -17.753547 0.009081 BFGS: 387 17:04:39 -17.753500 0.017750 BFGS: 388 17:04:39 -17.753550 0.009177 BFGS: 389 17:04:39 -17.753552 0.008890 BFGS: 390 17:04:39 -17.753557 0.004955 BFGS: 391 17:04:39 -17.753562 0.003777 BFGS: 392 17:04:39 -17.753564 0.001578 BFGS: 393 17:04:40 -17.753564 0.000076 BFGS: 394 17:04:40 -17.753564 0.000027 BFGS: 395 17:04:40 -17.753564 0.000011 BFGS: 396 17:04:40 -17.753564 0.000005 BFGS: 397 17:04:40 -17.753564 0.000001 BFGS: 398 17:04:40 -17.753564 0.000000 BFGS: 399 17:04:40 -17.753564 0.000000 BFGS: 400 17:04:40 -17.753564 0.000000 BFGS: 401 17:04:40 -17.753564 0.000000 Minimization converged after 401 steps. Maximum force component: 3.493084621740401e-09 eV/Angstrom Maximum stress component: 7.331423162595419e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] basis = [[0.53803103 0.38556623 0.98849167] [0.46196897 0.61443377 0.48849167] [0.96724963 0.75687549 0.24106259] [0.03275037 0.24312451 0.74106259] [0.77669787 0.41947673 0.48849167] [0.22330213 0.58052327 0.98849167] [0.96724963 0.75687549 0.73592074] [0.03275037 0.24312451 0.23592074] [0.96349898 0.30508459 0.48849167] [0.03650102 0.69491541 0.98849167] [0.79211006 0.64475033 0.48849167] [0.20788994 0.35524967 0.98849167]] cellpar = Cell([[4.8160383262206645, -1.5779291403704907, 0.0013237838141788273], [-1.5027766999671237, 7.231657822803289, -0.012246869416911842], [0.0016512559900990658, 0.009650606852332851, 5.4959700760083425]]) forces = [[-3.49308462e-09 2.24439474e-10 2.96519986e-10] [ 5.88733439e-10 1.98508130e-10 -2.39449518e-09] [-4.84550948e-10 -6.42042708e-10 -7.44001831e-10] [ 1.23790455e-10 -6.91873408e-10 -1.66213843e-09] [ 8.00358497e-10 1.21601806e-09 6.29430898e-10] [-1.28843276e-09 -1.40430423e-09 1.40255195e-09] [ 1.26831398e-09 -1.17829870e-09 2.52519516e-09] [ 2.29835072e-09 2.92074499e-12 -2.74743175e-09] [-1.42645696e-09 1.51301508e-09 2.94765237e-09] [-1.39068956e-09 1.32030966e-09 -2.35195897e-09] [ 1.53273282e-10 -1.51937216e-09 1.46677921e-09] [ 2.85039447e-09 9.60680239e-10 6.31896538e-10]] stress = [ 5.53412485e-11 3.08947590e-11 7.33142316e-11 -3.83034970e-11 6.20025548e-11 6.26383626e-12] energy per atom = -1.4794636671161108 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.26152311 0.03636325 0.47375313] [0.31276043 0.7767732 0.35014332] [0.91432073 0.44746606 0.523864 ] [0.48075394 0.4523015 0.75993705] [0.72084256 0.97188126 0.73971897] [0.69888876 0.71358261 0.06441617] [0.07649203 0.34730142 0.1688373 ] [0.21668388 0.85548518 0.93675313] [0.9768157 0.5784031 0.99226111] [0.50670267 0.76834979 0.87917566] [0.15030203 0.39754504 0.38406876] [0.78917417 0.35432758 0.72707139]] spacegroup = 1 cell = [[5.1347, 0, 0], [-0.31621055836526, 4.2026207457702, 0], [-0.10337093357701, 0.5671361644154, 7.2337656798588]] ========================================= Step Time Energy fmax BFGS: 0 17:04:43 -6.055834 35.994738 BFGS: 1 17:04:43 -8.942282 21.560932 BFGS: 2 17:04:43 -11.152834 13.506040 BFGS: 3 17:04:43 -12.622411 9.311310 BFGS: 4 17:04:43 -13.649180 6.663496 BFGS: 5 17:04:43 -14.400862 4.703866 BFGS: 6 17:04:43 -14.934168 3.251615 BFGS: 7 17:04:43 -15.295839 2.233591 BFGS: 8 17:04:43 -15.546379 1.533261 BFGS: 9 17:04:43 -15.736847 1.093696 BFGS: 10 17:04:43 -15.894421 0.922664 BFGS: 11 17:04:43 -16.030026 0.921744 BFGS: 12 17:04:43 -16.148357 0.933959 BFGS: 13 17:04:43 -16.252495 0.898548 BFGS: 14 17:04:43 -16.345147 0.835319 BFGS: 15 17:04:43 -16.428633 0.757563 BFGS: 16 17:04:43 -16.504800 0.742295 BFGS: 17 17:04:43 -16.573914 0.676119 BFGS: 18 17:04:43 -16.634625 0.712483 BFGS: 19 17:04:43 -16.695051 0.782247 BFGS: 20 17:04:43 -16.758420 0.819746 BFGS: 21 17:04:43 -16.819825 0.848543 BFGS: 22 17:04:43 -16.885501 0.873014 BFGS: 23 17:04:43 -16.955537 0.835743 BFGS: 24 17:04:43 -17.010506 0.815252 BFGS: 25 17:04:43 -17.057569 0.720399 BFGS: 26 17:04:44 -17.106020 0.646593 BFGS: 27 17:04:44 -17.157942 0.614613 BFGS: 28 17:04:44 -17.209506 0.588511 BFGS: 29 17:04:44 -17.256492 0.552062 BFGS: 30 17:04:44 -17.296712 0.508064 BFGS: 31 17:04:44 -17.330405 0.459033 BFGS: 32 17:04:44 -17.358908 0.407782 BFGS: 33 17:04:44 -17.383511 0.408098 BFGS: 34 17:04:44 -17.405066 0.397499 BFGS: 35 17:04:44 -17.421665 0.374170 BFGS: 36 17:04:44 -17.440779 0.330758 BFGS: 37 17:04:44 -17.460354 0.333109 BFGS: 38 17:04:44 -17.471550 0.317504 BFGS: 39 17:04:44 -17.480419 0.230320 BFGS: 40 17:04:44 -17.489271 0.272428 BFGS: 41 17:04:44 -17.500277 0.329251 BFGS: 42 17:04:44 -17.512288 0.327505 BFGS: 43 17:04:44 -17.523775 0.312025 BFGS: 44 17:04:44 -17.534608 0.290349 BFGS: 45 17:04:44 -17.544426 0.240295 BFGS: 46 17:04:44 -17.552935 0.212215 BFGS: 47 17:04:44 -17.560172 0.242118 BFGS: 48 17:04:44 -17.566597 0.261302 BFGS: 49 17:04:44 -17.572870 0.258486 BFGS: 50 17:04:44 -17.579782 0.231751 BFGS: 51 17:04:44 -17.587617 0.235126 BFGS: 52 17:04:44 -17.594732 0.206294 BFGS: 53 17:04:44 -17.598606 0.142666 BFGS: 54 17:04:44 -17.601573 0.124918 BFGS: 55 17:04:44 -17.603872 0.119680 BFGS: 56 17:04:44 -17.606406 0.149890 BFGS: 57 17:04:44 -17.609149 0.146283 BFGS: 58 17:04:44 -17.612323 0.161780 BFGS: 59 17:04:44 -17.616038 0.164681 BFGS: 60 17:04:45 -17.620524 0.161315 BFGS: 61 17:04:45 -17.625772 0.200644 BFGS: 62 17:04:45 -17.631138 0.228758 BFGS: 63 17:04:45 -17.635327 0.165158 BFGS: 64 17:04:45 -17.640136 0.140409 BFGS: 65 17:04:45 -17.642435 0.140247 BFGS: 66 17:04:45 -17.645614 0.151229 BFGS: 67 17:04:45 -17.648516 0.182668 BFGS: 68 17:04:45 -17.652166 0.188476 BFGS: 69 17:04:45 -17.657106 0.163710 BFGS: 70 17:04:45 -17.663452 0.193352 BFGS: 71 17:04:45 -17.668341 0.210827 BFGS: 72 17:04:45 -17.672282 0.181872 BFGS: 73 17:04:45 -17.674848 0.117303 BFGS: 74 17:04:45 -17.676431 0.085654 BFGS: 75 17:04:45 -17.677497 0.072712 BFGS: 76 17:04:45 -17.678225 0.059157 BFGS: 77 17:04:45 -17.678904 0.065074 BFGS: 78 17:04:45 -17.679587 0.058820 BFGS: 79 17:04:45 -17.680266 0.067273 BFGS: 80 17:04:45 -17.680950 0.074444 BFGS: 81 17:04:46 -17.681749 0.074398 BFGS: 82 17:04:46 -17.682702 0.071409 BFGS: 83 17:04:46 -17.683722 0.064091 BFGS: 84 17:04:46 -17.684627 0.068760 BFGS: 85 17:04:46 -17.685296 0.052452 BFGS: 86 17:04:46 -17.685772 0.060118 BFGS: 87 17:04:46 -17.686220 0.055935 BFGS: 88 17:04:46 -17.686760 0.052991 BFGS: 89 17:04:46 -17.687433 0.069077 BFGS: 90 17:04:46 -17.688136 0.070832 BFGS: 91 17:04:46 -17.688732 0.065858 BFGS: 92 17:04:46 -17.689159 0.046567 BFGS: 93 17:04:46 -17.689449 0.046638 BFGS: 94 17:04:46 -17.689724 0.045388 BFGS: 95 17:04:46 -17.690027 0.041782 BFGS: 96 17:04:46 -17.690349 0.045412 BFGS: 97 17:04:46 -17.690716 0.053095 BFGS: 98 17:04:46 -17.691179 0.058000 BFGS: 99 17:04:46 -17.691755 0.067602 BFGS: 100 17:04:46 -17.692325 0.069558 BFGS: 101 17:04:46 -17.692785 0.056082 BFGS: 102 17:04:46 -17.693142 0.056725 BFGS: 103 17:04:46 -17.693464 0.053186 BFGS: 104 17:04:46 -17.693833 0.059669 BFGS: 105 17:04:46 -17.694273 0.061692 BFGS: 106 17:04:46 -17.694804 0.060024 BFGS: 107 17:04:46 -17.695470 0.086674 BFGS: 108 17:04:46 -17.696514 0.107912 BFGS: 109 17:04:46 -17.697701 0.117058 BFGS: 110 17:04:46 -17.699062 0.145383 BFGS: 111 17:04:46 -17.700779 0.173891 BFGS: 112 17:04:47 -17.702876 0.201408 BFGS: 113 17:04:47 -17.705130 0.241771 BFGS: 114 17:04:47 -17.707780 0.316663 BFGS: 115 17:04:47 -17.711517 0.404528 BFGS: 116 17:04:47 -17.716523 0.488830 BFGS: 117 17:04:47 -17.724144 0.563270 BFGS: 118 17:04:47 -17.741593 0.596306 BFGS: 119 17:04:47 -17.766636 0.662269 BFGS: 120 17:04:47 -17.797723 0.682757 BFGS: 121 17:04:47 -17.828663 0.670796 BFGS: 122 17:04:47 -17.857378 0.684725 BFGS: 123 17:04:47 -17.891230 0.592245 BFGS: 124 17:04:47 -17.919667 0.485874 BFGS: 125 17:04:47 -17.946096 0.397004 BFGS: 126 17:04:47 -17.965200 0.319244 BFGS: 127 17:04:47 -17.982881 0.301569 BFGS: 128 17:04:47 -17.995479 0.313728 BFGS: 129 17:04:47 -18.008978 0.447750 BFGS: 130 17:04:47 -18.024181 0.394980 BFGS: 131 17:04:47 -18.037532 0.320401 BFGS: 132 17:04:47 -18.049628 0.279845 BFGS: 133 17:04:47 -18.056570 0.169671 BFGS: 134 17:04:47 -18.060868 0.138334 BFGS: 135 17:04:47 -18.064227 0.144577 BFGS: 136 17:04:47 -18.067405 0.149367 BFGS: 137 17:04:47 -18.069446 0.104745 BFGS: 138 17:04:47 -18.070827 0.102551 BFGS: 139 17:04:47 -18.071952 0.076921 BFGS: 140 17:04:47 -18.073064 0.080948 BFGS: 141 17:04:47 -18.074007 0.077158 BFGS: 142 17:04:47 -18.075151 0.073170 BFGS: 143 17:04:47 -18.076408 0.071754 BFGS: 144 17:04:47 -18.077518 0.063659 BFGS: 145 17:04:48 -18.078406 0.063941 BFGS: 146 17:04:48 -18.079418 0.077859 BFGS: 147 17:04:48 -18.080850 0.088316 BFGS: 148 17:04:48 -18.082634 0.090016 BFGS: 149 17:04:48 -18.084406 0.106197 BFGS: 150 17:04:48 -18.086004 0.117825 BFGS: 151 17:04:48 -18.087874 0.103863 BFGS: 152 17:04:48 -18.090190 0.142360 BFGS: 153 17:04:48 -18.092767 0.156984 BFGS: 154 17:04:48 -18.095408 0.156229 BFGS: 155 17:04:48 -18.098111 0.146947 BFGS: 156 17:04:48 -18.101089 0.131359 BFGS: 157 17:04:48 -18.104068 0.129771 BFGS: 158 17:04:48 -18.107039 0.135746 BFGS: 159 17:04:48 -18.109850 0.137596 BFGS: 160 17:04:48 -18.112561 0.135238 BFGS: 161 17:04:48 -18.114952 0.130138 BFGS: 162 17:04:48 -18.117335 0.118723 BFGS: 163 17:04:48 -18.119083 0.122884 BFGS: 164 17:04:48 -18.121018 0.118805 BFGS: 165 17:04:48 -18.122429 0.125307 BFGS: 166 17:04:48 -18.123881 0.127425 BFGS: 167 17:04:48 -18.125243 0.131497 BFGS: 168 17:04:48 -18.126570 0.135727 BFGS: 169 17:04:48 -18.127881 0.138731 BFGS: 170 17:04:48 -18.129344 0.137920 BFGS: 171 17:04:48 -18.130870 0.136588 BFGS: 172 17:04:48 -18.132506 0.133376 BFGS: 173 17:04:48 -18.134260 0.130514 BFGS: 174 17:04:48 -18.135891 0.134426 BFGS: 175 17:04:48 -18.137704 0.138112 BFGS: 176 17:04:48 -18.139627 0.140134 BFGS: 177 17:04:48 -18.141769 0.140525 BFGS: 178 17:04:48 -18.144068 0.138270 BFGS: 179 17:04:48 -18.146683 0.132433 BFGS: 180 17:04:48 -18.149134 0.122272 BFGS: 181 17:04:49 -18.152262 0.102824 BFGS: 182 17:04:49 -18.154156 0.089973 BFGS: 183 17:04:49 -18.155882 0.076143 BFGS: 184 17:04:49 -18.156688 0.080151 BFGS: 185 17:04:49 -18.157760 0.082397 BFGS: 186 17:04:49 -18.158546 0.082516 BFGS: 187 17:04:49 -18.159340 0.078032 BFGS: 188 17:04:49 -18.160641 0.078451 BFGS: 189 17:04:49 -18.162289 0.088421 BFGS: 190 17:04:49 -18.163470 0.097700 BFGS: 191 17:04:49 -18.164778 0.078042 BFGS: 192 17:04:49 -18.166328 0.068600 BFGS: 193 17:04:49 -18.168002 0.078250 BFGS: 194 17:04:49 -18.169605 0.094347 BFGS: 195 17:04:49 -18.171465 0.110131 BFGS: 196 17:04:49 -18.173355 0.116565 BFGS: 197 17:04:49 -18.175439 0.092695 BFGS: 198 17:04:49 -18.177684 0.086368 BFGS: 199 17:04:49 -18.179797 0.071814 BFGS: 200 17:04:49 -18.181206 0.079685 BFGS: 201 17:04:49 -18.182098 0.061638 BFGS: 202 17:04:49 -18.182635 0.059477 BFGS: 203 17:04:49 -18.183075 0.055149 BFGS: 204 17:04:49 -18.183390 0.045303 BFGS: 205 17:04:49 -18.183667 0.036155 BFGS: 206 17:04:49 -18.183993 0.044332 BFGS: 207 17:04:50 -18.184408 0.053657 BFGS: 208 17:04:50 -18.184875 0.053468 BFGS: 209 17:04:50 -18.185310 0.046745 BFGS: 210 17:04:50 -18.185639 0.039826 BFGS: 211 17:04:50 -18.185866 0.030812 BFGS: 212 17:04:50 -18.186049 0.024209 BFGS: 213 17:04:50 -18.186241 0.029812 BFGS: 214 17:04:50 -18.186460 0.033831 BFGS: 215 17:04:50 -18.186685 0.029060 BFGS: 216 17:04:50 -18.186871 0.026035 BFGS: 217 17:04:50 -18.186991 0.020129 BFGS: 218 17:04:50 -18.187074 0.019737 BFGS: 219 17:04:50 -18.187156 0.021581 BFGS: 220 17:04:51 -18.187270 0.020254 BFGS: 221 17:04:51 -18.187422 0.026101 BFGS: 222 17:04:51 -18.187596 0.030772 BFGS: 223 17:04:51 -18.187737 0.021185 BFGS: 224 17:04:51 -18.187811 0.014052 BFGS: 225 17:04:51 -18.187839 0.008361 BFGS: 226 17:04:51 -18.187851 0.008720 BFGS: 227 17:04:51 -18.187862 0.008625 BFGS: 228 17:04:51 -18.187884 0.012945 BFGS: 229 17:04:51 -18.187934 0.022621 BFGS: 230 17:04:51 -18.188074 0.039971 BFGS: 231 17:04:51 -18.188488 0.076986 BFGS: 232 17:04:51 -18.188903 0.107903 BFGS: 233 17:04:51 -18.189464 0.131048 BFGS: 234 17:04:51 -18.190209 0.147320 BFGS: 235 17:04:51 -18.191091 0.159839 BFGS: 236 17:04:51 -18.192057 0.171320 BFGS: 237 17:04:51 -18.193126 0.182949 BFGS: 238 17:04:52 -18.194228 0.196230 BFGS: 239 17:04:52 -18.195302 0.212295 BFGS: 240 17:04:52 -18.198273 0.188359 BFGS: 241 17:04:52 -18.200676 0.186289 BFGS: 242 17:04:52 -18.205117 0.200897 BFGS: 243 17:04:52 -18.209499 0.252063 BFGS: 244 17:04:52 -18.215274 0.142180 BFGS: 245 17:04:52 -18.220659 0.119368 BFGS: 246 17:04:52 -18.225876 0.131697 BFGS: 247 17:04:52 -18.231252 0.209678 BFGS: 248 17:04:52 -18.237052 0.289335 BFGS: 249 17:04:52 -18.243259 0.371309 BFGS: 250 17:04:52 -18.248566 0.440116 BFGS: 251 17:04:52 -18.253178 0.502244 BFGS: 252 17:04:52 -18.257990 0.546448 BFGS: 253 17:04:52 -18.263093 0.584902 BFGS: 254 17:04:52 -18.268531 0.613898 BFGS: 255 17:04:53 -18.272963 0.621484 BFGS: 256 17:04:53 -18.281803 0.635218 BFGS: 257 17:04:53 -18.299021 0.632268 BFGS: 258 17:04:53 -18.326607 0.621975 BFGS: 259 17:04:53 -18.365774 0.624537 BFGS: 260 17:04:53 -18.414364 0.634745 BFGS: 261 17:04:53 -18.469096 0.650610 BFGS: 262 17:04:53 -18.522559 0.659056 BFGS: 263 17:04:53 -18.565110 0.588093 BFGS: 264 17:04:53 -18.584170 0.606043 BFGS: 265 17:04:53 -18.604945 0.553436 BFGS: 266 17:04:53 -18.618424 0.542884 BFGS: 267 17:04:53 -18.630417 0.526480 BFGS: 268 17:04:53 -18.641003 0.498530 BFGS: 269 17:04:53 -18.649790 0.491566 BFGS: 270 17:04:53 -18.657399 0.457177 BFGS: 271 17:04:53 -18.663489 0.436609 BFGS: 272 17:04:53 -18.668423 0.388001 BFGS: 273 17:04:53 -18.672707 0.322591 BFGS: 274 17:04:54 -18.676344 0.230209 BFGS: 275 17:04:54 -18.680519 0.137087 BFGS: 276 17:04:54 -18.683011 0.092960 BFGS: 277 17:04:54 -18.684175 0.103698 BFGS: 278 17:04:54 -18.684751 0.086603 BFGS: 279 17:04:54 -18.685400 0.081232 BFGS: 280 17:04:54 -18.686081 0.060027 BFGS: 281 17:04:54 -18.686829 0.075690 BFGS: 282 17:04:54 -18.687606 0.067484 BFGS: 283 17:04:54 -18.688304 0.077730 BFGS: 284 17:04:54 -18.688806 0.078170 BFGS: 285 17:04:54 -18.689205 0.071230 BFGS: 286 17:04:54 -18.689609 0.058463 BFGS: 287 17:04:54 -18.690049 0.050213 BFGS: 288 17:04:54 -18.690482 0.069064 BFGS: 289 17:04:54 -18.690905 0.078112 BFGS: 290 17:04:54 -18.691375 0.076472 BFGS: 291 17:04:54 -18.692008 0.067911 BFGS: 292 17:04:54 -18.692826 0.075840 BFGS: 293 17:04:54 -18.693653 0.093723 BFGS: 294 17:04:54 -18.694554 0.100019 BFGS: 295 17:04:55 -18.695614 0.098630 BFGS: 296 17:04:55 -18.697277 0.138461 BFGS: 297 17:04:55 -18.700184 0.183088 BFGS: 298 17:04:55 -18.704313 0.218073 BFGS: 299 17:04:55 -18.709062 0.242498 BFGS: 300 17:04:55 -18.715047 0.279388 BFGS: 301 17:04:55 -18.720529 0.294958 BFGS: 302 17:04:55 -18.729349 0.275742 BFGS: 303 17:04:55 -18.738523 0.242939 BFGS: 304 17:04:55 -18.749397 0.137406 BFGS: 305 17:04:55 -18.753300 0.086217 BFGS: 306 17:04:55 -18.754583 0.051796 BFGS: 307 17:04:55 -18.755163 0.038232 BFGS: 308 17:04:55 -18.755430 0.028394 BFGS: 309 17:04:55 -18.755613 0.026254 BFGS: 310 17:04:55 -18.755675 0.016931 BFGS: 311 17:04:55 -18.755733 0.012313 BFGS: 312 17:04:55 -18.755771 0.015103 BFGS: 313 17:04:55 -18.755816 0.012092 BFGS: 314 17:04:56 -18.755857 0.010211 BFGS: 315 17:04:56 -18.755886 0.007415 BFGS: 316 17:04:56 -18.755901 0.004596 BFGS: 317 17:04:56 -18.755907 0.002825 BFGS: 318 17:04:56 -18.755909 0.001336 BFGS: 319 17:04:56 -18.755909 0.000629 BFGS: 320 17:04:56 -18.755910 0.000250 BFGS: 321 17:04:56 -18.755910 0.000110 BFGS: 322 17:04:56 -18.755910 0.000041 BFGS: 323 17:04:56 -18.755910 0.000011 BFGS: 324 17:04:56 -18.755910 0.000004 BFGS: 325 17:04:56 -18.755910 0.000003 BFGS: 326 17:04:56 -18.755910 0.000002 BFGS: 327 17:04:56 -18.755910 0.000001 BFGS: 328 17:04:56 -18.755910 0.000000 BFGS: 329 17:04:56 -18.755910 0.000000 BFGS: 330 17:04:56 -18.755910 0.000000 BFGS: 331 17:04:56 -18.755910 0.000000 BFGS: 332 17:04:56 -18.755910 0.000000 Minimization converged after 332 steps. Maximum force component: 8.384382110686305e-09 eV/Angstrom Maximum stress component: 7.18327139694161e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] basis = [[0.4369151 0.58013549 0.44980392] [0.07184929 0.97469623 0.19479992] [0.9369151 0.47974333 0.55019608] [0.57184929 0.36429607 0.80520008] [0.61236071 0.97469623 0.69479992] [0.7472949 0.47974334 0.05019608] [0.11236071 0.36429607 0.30520008] [0.2472949 0.58013549 0.94980392] [0.04307547 0.3501544 0.12535503] [0.54307547 0.60086447 0.87464497] [0.14113453 0.60086447 0.37464497] [0.64113453 0.3501544 0.62535503]] cellpar = Cell([[5.012033600222361, 0.18714284876608345, 0.05387878921805586], [-0.1925549278577672, 4.782160990830547, 1.3018954709408967], [-0.19638645398225327, 2.9956390036749925, 7.86363423079751]]) forces = [[-2.58593853e-09 2.39464809e-09 1.94292268e-10] [ 1.11597882e-09 -5.45597574e-09 3.69926827e-09] [-5.14519533e-09 -2.95396871e-10 1.82465835e-09] [-1.83414000e-09 9.32928408e-10 1.99065538e-09] [ 2.34470117e-09 4.58153441e-09 -7.12304629e-09] [ 2.04861438e-09 -4.14757893e-09 2.60304317e-09] [ 1.46933449e-11 2.74432606e-10 2.41273651e-09] [ 1.95608868e-09 2.05327611e-09 -5.78658873e-09] [ 5.46473719e-10 -8.24435993e-10 3.04748758e-09] [-8.38438211e-09 1.73871714e-09 -6.90343764e-10] [ 7.02382748e-09 -2.11344177e-09 5.61076058e-10] [ 2.89927830e-09 8.61292566e-10 -2.73323923e-09]] stress = [-2.29694740e-11 3.87289255e-11 -7.18327140e-11 1.84113101e-11 -5.41390660e-12 4.87321777e-11] energy per atom = -1.5629924632942516 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A2B_aP12_1_8a_4a, while relaxed is A2B_mP12_11_2ef_2e. Skipping parameter set 1. No parameter sets in this group successfully added a property instance. Skipping this group. Parameter sets [2] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A2B_aP12_1_8a_4a, while relaxed is A2B_oP12_33_2a_a. Skipping parameter set 2. No parameter sets in this group successfully added a property instance. Skipping this group.