element(s): ['O', 'Si'] AFLOW prototype label: A2B_aP24_1_16a_8a 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', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8215', '4.2236399', '4.1878433', '89.1933', '83.3937', '84.6739', '0.2043295', '0.088942776', '0.57447236', '0.97819114', '0.35395728', '0.75737962', '0.04680046', '0.64753587', '0.21450843', '0.8027175', '0.22863735', '0.34421514', '0.33291893', '0.77471343', '0.62485469', '0.74138487', '0.75751151', '0.81546994', '0.3720041', '0.22221791', '0.1514872', '0.57197545', '0.1639884', '0.75055041', '0.47209035', '0.83577502', '0.23041548', '0.41954618', '0.2834376', '0.93638494', '0.59335149', '0.72603733', '0.038095454', '0.7236541', '0.94796845', '0.70319933', '0.391345', '0.047253492', '0.28581551', '0.23710695', '0.59096889', '0.90380192', '0.81236058', '0.39948492', '0.087101354', '0.87519661', '0.90170124', '0.40848631', '0.40494091', '0.92096678', '0.33754481', '0.67479818', '0.07296891', '0.647619', '0.34895939', '0.18381507', '0.28503095', '0.78757421', '0.81148042', '0.68868476', '0.54107124', '0.71048161', '0.17594135', '0.48227273', '0.29256365', '0.79812131', '0.70340176', '0.66291467', '0.91489766', '0.34989836', '0.32990743', '0.065612077'] model name: Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.2043295 0.08894278 0.57447236] [0.97819114 0.35395728 0.75737962] [0.04680046 0.64753587 0.21450843] [0.8027175 0.22863735 0.34421514] [0.33291893 0.77471343 0.62485469] [0.74138487 0.75751151 0.81546994] [0.3720041 0.22221791 0.1514872 ] [0.57197545 0.1639884 0.75055041] [0.47209035 0.83577502 0.23041548] [0.41954618 0.2834376 0.93638494] [0.59335149 0.72603733 0.03809545] [0.7236541 0.94796845 0.70319933] [0.391345 0.04725349 0.28581551] [0.23710695 0.59096889 0.90380192] [0.81236058 0.39948492 0.08710135] [0.87519661 0.90170124 0.40848631] [0.40494091 0.92096678 0.33754481] [0.67479818 0.07296891 0.647619 ] [0.34895939 0.18381507 0.28503095] [0.78757421 0.81148042 0.68868476] [0.54107124 0.71048161 0.17594135] [0.48227273 0.29256365 0.79812131] [0.70340176 0.66291467 0.91489766] [0.34989836 0.32990743 0.06561208]] spacegroup = 1 cell = [[2.8215, 0, 0], [1.1061855296112, 11.865548557655, 0], [1.3593879887205, 0.040348871060928, 11.737473845114]] ========================================= Step Time Energy fmax BFGS: 0 16:00:13 -149.707553 5.209381 BFGS: 1 16:00:14 -151.991551 2.541784 BFGS: 2 16:00:14 -152.865528 3.004132 BFGS: 3 16:00:14 -153.123785 3.060704 BFGS: 4 16:00:14 -153.332752 3.025816 BFGS: 5 16:00:14 -153.509543 2.960112 BFGS: 6 16:00:14 -153.665419 2.885293 BFGS: 7 16:00:14 -153.808114 2.803329 BFGS: 8 16:00:15 -153.941731 2.718702 BFGS: 9 16:00:15 -154.068576 2.630838 BFGS: 10 16:00:15 -154.189931 2.541591 BFGS: 11 16:00:15 -154.306595 2.450740 BFGS: 12 16:00:15 -154.419002 2.359114 BFGS: 13 16:00:15 -154.527394 2.266742 BFGS: 14 16:00:15 -154.631882 2.174046 BFGS: 15 16:00:15 -154.732508 2.081126 BFGS: 16 16:00:15 -154.829268 1.988219 BFGS: 17 16:00:16 -154.922133 1.895425 BFGS: 18 16:00:16 -155.011064 1.802895 BFGS: 19 16:00:16 -155.096017 1.710709 BFGS: 20 16:00:16 -155.176949 1.618971 BFGS: 21 16:00:16 -155.253821 1.527740 BFGS: 22 16:00:16 -155.326600 1.437093 BFGS: 23 16:00:16 -155.395261 1.347069 BFGS: 24 16:00:16 -155.459782 1.257727 BFGS: 25 16:00:17 -155.520153 1.169089 BFGS: 26 16:00:17 -155.576367 1.081206 BFGS: 27 16:00:17 -155.628426 0.994085 BFGS: 28 16:00:17 -155.676335 0.907768 BFGS: 29 16:00:17 -155.720106 0.822254 BFGS: 30 16:00:17 -155.759756 0.737577 BFGS: 31 16:00:17 -155.795305 0.653733 BFGS: 32 16:00:17 -155.826779 0.570745 BFGS: 33 16:00:17 -155.854206 0.488607 BFGS: 34 16:00:18 -155.877619 0.407336 BFGS: 35 16:00:18 -155.897056 0.326928 BFGS: 36 16:00:18 -155.912556 0.247389 BFGS: 37 16:00:18 -155.924172 0.168726 BFGS: 38 16:00:18 -155.931970 0.090970 BFGS: 39 16:00:18 -155.936065 0.068108 BFGS: 40 16:00:18 -155.937027 0.062894 BFGS: 41 16:00:18 -155.937666 0.059134 BFGS: 42 16:00:18 -155.939544 0.058588 BFGS: 43 16:00:19 -155.941055 0.049921 BFGS: 44 16:00:19 -155.941833 0.049787 BFGS: 45 16:00:19 -155.942037 0.040520 BFGS: 46 16:00:19 -155.942177 0.031138 BFGS: 47 16:00:19 -155.942452 0.025399 BFGS: 48 16:00:19 -155.942859 0.034100 BFGS: 49 16:00:19 -155.943171 0.034892 BFGS: 50 16:00:20 -155.943371 0.032419 BFGS: 51 16:00:20 -155.943568 0.025635 BFGS: 52 16:00:20 -155.943827 0.020390 BFGS: 53 16:00:20 -155.944055 0.021222 BFGS: 54 16:00:20 -155.944168 0.023654 BFGS: 55 16:00:20 -155.944213 0.020994 BFGS: 56 16:00:20 -155.944254 0.016242 BFGS: 57 16:00:20 -155.944315 0.011865 BFGS: 58 16:00:20 -155.944381 0.013399 BFGS: 59 16:00:20 -155.944420 0.011668 BFGS: 60 16:00:21 -155.944442 0.010112 BFGS: 61 16:00:21 -155.944476 0.013962 BFGS: 62 16:00:21 -155.944544 0.018320 BFGS: 63 16:00:21 -155.944659 0.020653 BFGS: 64 16:00:21 -155.944791 0.018683 BFGS: 65 16:00:21 -155.944878 0.014907 BFGS: 66 16:00:21 -155.944918 0.013547 BFGS: 67 16:00:21 -155.944945 0.011359 BFGS: 68 16:00:21 -155.944976 0.011356 BFGS: 69 16:00:22 -155.945011 0.014528 BFGS: 70 16:00:22 -155.945043 0.011338 BFGS: 71 16:00:22 -155.945065 0.008011 BFGS: 72 16:00:22 -155.945079 0.005233 BFGS: 73 16:00:22 -155.945087 0.005434 BFGS: 74 16:00:22 -155.945091 0.004961 BFGS: 75 16:00:22 -155.945096 0.004211 BFGS: 76 16:00:22 -155.945101 0.004805 BFGS: 77 16:00:23 -155.945105 0.005391 BFGS: 78 16:00:23 -155.945107 0.004267 BFGS: 79 16:00:23 -155.945109 0.002661 BFGS: 80 16:00:23 -155.945110 0.001987 BFGS: 81 16:00:23 -155.945111 0.002193 BFGS: 82 16:00:23 -155.945111 0.002312 BFGS: 83 16:00:23 -155.945112 0.002250 BFGS: 84 16:00:23 -155.945114 0.002908 BFGS: 85 16:00:24 -155.945116 0.003306 BFGS: 86 16:00:24 -155.945117 0.002523 BFGS: 87 16:00:24 -155.945119 0.002423 BFGS: 88 16:00:24 -155.945120 0.002074 BFGS: 89 16:00:24 -155.945121 0.001710 BFGS: 90 16:00:24 -155.945121 0.001579 BFGS: 91 16:00:24 -155.945122 0.001997 BFGS: 92 16:00:24 -155.945122 0.001807 BFGS: 93 16:00:24 -155.945123 0.001519 BFGS: 94 16:00:24 -155.945123 0.001160 BFGS: 95 16:00:25 -155.945123 0.000888 BFGS: 96 16:00:25 -155.945124 0.000795 BFGS: 97 16:00:25 -155.945124 0.000847 BFGS: 98 16:00:25 -155.945124 0.000941 BFGS: 99 16:00:25 -155.945124 0.000836 BFGS: 100 16:00:25 -155.945124 0.000581 BFGS: 101 16:00:25 -155.945124 0.000504 BFGS: 102 16:00:25 -155.945124 0.000422 BFGS: 103 16:00:25 -155.945124 0.000372 BFGS: 104 16:00:26 -155.945124 0.000293 BFGS: 105 16:00:26 -155.945125 0.000260 BFGS: 106 16:00:26 -155.945125 0.000278 BFGS: 107 16:00:26 -155.945125 0.000329 BFGS: 108 16:00:26 -155.945125 0.000286 BFGS: 109 16:00:26 -155.945125 0.000180 BFGS: 110 16:00:26 -155.945125 0.000156 BFGS: 111 16:00:26 -155.945125 0.000138 BFGS: 112 16:00:26 -155.945125 0.000113 BFGS: 113 16:00:26 -155.945125 0.000092 BFGS: 114 16:00:27 -155.945125 0.000097 BFGS: 115 16:00:27 -155.945125 0.000090 BFGS: 116 16:00:27 -155.945125 0.000061 BFGS: 117 16:00:27 -155.945125 0.000038 BFGS: 118 16:00:27 -155.945125 0.000029 BFGS: 119 16:00:27 -155.945125 0.000030 BFGS: 120 16:00:27 -155.945125 0.000025 BFGS: 121 16:00:28 -155.945125 0.000018 BFGS: 122 16:00:28 -155.945125 0.000011 BFGS: 123 16:00:28 -155.945125 0.000010 BFGS: 124 16:00:28 -155.945125 0.000007 BFGS: 125 16:00:28 -155.945125 0.000006 BFGS: 126 16:00:28 -155.945125 0.000005 BFGS: 127 16:00:28 -155.945125 0.000003 BFGS: 128 16:00:28 -155.945125 0.000003 BFGS: 129 16:00:29 -155.945125 0.000003 BFGS: 130 16:00:29 -155.945125 0.000002 BFGS: 131 16:00:29 -155.945125 0.000002 BFGS: 132 16:00:29 -155.945125 0.000001 BFGS: 133 16:00:29 -155.945125 0.000001 BFGS: 134 16:00:29 -155.945125 0.000001 BFGS: 135 16:00:29 -155.945125 0.000001 BFGS: 136 16:00:29 -155.945125 0.000001 BFGS: 137 16:00:29 -155.945125 0.000001 BFGS: 138 16:00:30 -155.945125 0.000000 BFGS: 139 16:00:30 -155.945125 0.000000 BFGS: 140 16:00:30 -155.945125 0.000000 BFGS: 141 16:00:30 -155.945125 0.000000 BFGS: 142 16:00:30 -155.945125 0.000000 BFGS: 143 16:00:30 -155.945125 0.000000 BFGS: 144 16:00:30 -155.945125 0.000000 BFGS: 145 16:00:30 -155.945125 0.000000 BFGS: 146 16:00:30 -155.945125 0.000000 BFGS: 147 16:00:31 -155.945125 0.000000 BFGS: 148 16:00:31 -155.945125 0.000000 BFGS: 149 16:00:31 -155.945125 0.000000 BFGS: 150 16:00:31 -155.945125 0.000000 BFGS: 151 16:00:31 -155.945125 0.000000 BFGS: 152 16:00:31 -155.945125 0.000000 BFGS: 153 16:00:31 -155.945125 0.000000 BFGS: 154 16:00:31 -155.945125 0.000000 BFGS: 155 16:00:31 -155.945125 0.000000 BFGS: 156 16:00:32 -155.945125 0.000000 BFGS: 157 16:00:32 -155.945125 0.000000 BFGS: 158 16:00:32 -155.945125 0.000000 BFGS: 159 16:00:32 -155.945125 0.000000 BFGS: 160 16:00:32 -155.945125 0.000000 BFGS: 161 16:00:32 -155.945125 0.000000 BFGS: 162 16:00:32 -155.945125 0.000000 BFGS: 163 16:00:32 -155.945125 0.000000 BFGS: 164 16:00:32 -155.945125 0.000000 BFGS: 165 16:00:32 -155.945125 0.000000 BFGS: 166 16:00:33 -155.945125 0.000000 BFGS: 167 16:00:33 -155.945125 0.000000 BFGS: 168 16:00:33 -155.945125 0.000000 BFGS: 169 16:00:33 -155.945125 0.000000 BFGS: 170 16:00:33 -155.945125 0.000000 BFGS: 171 16:00:33 -155.945125 0.000000 BFGS: 172 16:00:33 -155.945125 0.000000 BFGS: 173 16:00:33 -155.945125 0.000000 BFGS: 174 16:00:33 -155.945125 0.000000 BFGS: 175 16:00:33 -155.945125 0.000000 BFGS: 176 16:00:34 -155.945125 0.000000 BFGS: 177 16:00:34 -155.945125 0.000000 BFGS: 178 16:00:34 -155.945125 0.000000 BFGS: 179 16:00:34 -155.945125 0.000000 BFGS: 180 16:00:34 -155.945125 0.000000 BFGS: 181 16:00:34 -155.945125 0.000000 BFGS: 182 16:00:34 -155.945125 0.000000 BFGS: 183 16:00:34 -155.945125 0.000000 BFGS: 184 16:00:34 -155.945125 0.000000 BFGS: 185 16:00:35 -155.945125 0.000000 BFGS: 186 16:00:35 -155.945125 0.000000 BFGS: 187 16:00:35 -155.945125 0.000000 BFGS: 188 16:00:35 -155.945125 0.000000 BFGS: 189 16:00:35 -155.945125 0.000000 BFGS: 190 16:00:35 -155.945125 0.000000 BFGS: 191 16:00:35 -155.945125 0.000000 BFGS: 192 16:00:35 -155.945125 0.000000 BFGS: 193 16:00:35 -155.945125 0.000000 BFGS: 194 16:00:35 -155.945125 0.000000 BFGS: 195 16:00:36 -155.945125 0.000000 BFGS: 196 16:00:36 -155.945125 0.000000 BFGS: 197 16:00:36 -155.945125 0.000000 BFGS: 198 16:00:36 -155.945125 0.000000 BFGS: 199 16:00:36 -155.945125 0.000000 BFGS: 200 16:00:36 -155.945125 0.000000 BFGS: 201 16:00:36 -155.945125 0.000000 BFGS: 202 16:00:36 -155.945125 0.000000 BFGS: 203 16:00:36 -155.945125 0.000000 BFGS: 204 16:00:36 -155.945125 0.000000 BFGS: 205 16:00:36 -155.945125 0.000000 BFGS: 206 16:00:37 -155.945125 0.000000 BFGS: 207 16:00:37 -155.945125 0.000000 BFGS: 208 16:00:37 -155.945125 0.000000 BFGS: 209 16:00:37 -155.945125 0.000000 BFGS: 210 16:00:37 -155.945125 0.000000 BFGS: 211 16:00:37 -155.945125 0.000000 BFGS: 212 16:00:37 -155.945125 0.000000 BFGS: 213 16:00:37 -155.945125 0.000000 BFGS: 214 16:00:37 -155.945125 0.000000 BFGS: 215 16:00:37 -155.945125 0.000000 BFGS: 216 16:00:37 -155.945125 0.000000 BFGS: 217 16:00:37 -155.945125 0.000000 BFGS: 218 16:00:37 -155.945125 0.000000 BFGS: 219 16:00:38 -155.945125 0.000000 BFGS: 220 16:00:38 -155.945125 0.000000 BFGS: 221 16:00:38 -155.945125 0.000000 BFGS: 222 16:00:38 -155.945125 0.000000 BFGS: 223 16:00:38 -155.945125 0.000000 BFGS: 224 16:00:38 -155.945125 0.000000 BFGS: 225 16:00:38 -155.945125 0.000000 BFGS: 226 16:00:38 -155.945125 0.000000 BFGS: 227 16:00:38 -155.945125 0.000000 BFGS: 228 16:00:38 -155.945125 0.000000 BFGS: 229 16:00:38 -155.945125 0.000000 BFGS: 230 16:00:38 -155.945125 0.000000 BFGS: 231 16:00:39 -155.945125 0.000000 BFGS: 232 16:00:39 -155.945125 0.000000 BFGS: 233 16:00:39 -155.945125 0.000000 BFGS: 234 16:00:39 -155.945125 0.000000 BFGS: 235 16:00:39 -155.945125 0.000000 BFGS: 236 16:00:39 -155.945125 0.000000 BFGS: 237 16:00:39 -155.945125 0.000000 BFGS: 238 16:00:39 -155.945125 0.000000 BFGS: 239 16:00:39 -155.945125 0.000000 BFGS: 240 16:00:39 -155.945125 0.000000 BFGS: 241 16:00:39 -155.945125 0.000000 BFGS: 242 16:00:39 -155.945125 0.000000 BFGS: 243 16:00:39 -155.945125 0.000000 BFGS: 244 16:00:40 -155.945125 0.000000 BFGS: 245 16:00:40 -155.945125 0.000000 BFGS: 246 16:00:40 -155.945125 0.000000 BFGS: 247 16:00:40 -155.945125 0.000000 BFGS: 248 16:00:40 -155.945125 0.000000 BFGS: 249 16:00:40 -155.945125 0.000000 BFGS: 250 16:00:40 -155.945125 0.000000 BFGS: 251 16:00:40 -155.945125 0.000000 BFGS: 252 16:00:40 -155.945125 0.000000 BFGS: 253 16:00:40 -155.945125 0.000000 BFGS: 254 16:00:40 -155.945125 0.000000 BFGS: 255 16:00:40 -155.945125 0.000000 BFGS: 256 16:00:41 -155.945125 0.000000 BFGS: 257 16:00:41 -155.945125 0.000000 BFGS: 258 16:00:41 -155.945125 0.000000 BFGS: 259 16:00:41 -155.945125 0.000000 BFGS: 260 16:00:41 -155.945125 0.000000 BFGS: 261 16:00:41 -155.945125 0.000000 BFGS: 262 16:00:41 -155.945125 0.000000 BFGS: 263 16:00:41 -155.945125 0.000000 BFGS: 264 16:00:41 -155.945125 0.000000 BFGS: 265 16:00:41 -155.945125 0.000000 BFGS: 266 16:00:41 -155.945125 0.000000 BFGS: 267 16:00:42 -155.945125 0.000000 BFGS: 268 16:00:42 -155.945125 0.000000 BFGS: 269 16:00:42 -155.945125 0.000000 BFGS: 270 16:00:42 -155.945125 0.000000 BFGS: 271 16:00:42 -155.945125 0.000000 BFGS: 272 16:00:42 -155.945125 0.000000 BFGS: 273 16:00:42 -155.945125 0.000000 BFGS: 274 16:00:42 -155.945125 0.000000 BFGS: 275 16:00:42 -155.945125 0.000000 BFGS: 276 16:00:42 -155.945125 0.000000 BFGS: 277 16:00:42 -155.945125 0.000000 BFGS: 278 16:00:42 -155.945125 0.000000 BFGS: 279 16:00:43 -155.945125 0.000000 BFGS: 280 16:00:43 -155.945125 0.000000 BFGS: 281 16:00:43 -155.945125 0.000000 BFGS: 282 16:00:43 -155.945125 0.000000 BFGS: 283 16:00:43 -155.945125 0.000000 BFGS: 284 16:00:43 -155.945125 0.000000 BFGS: 285 16:00:43 -155.945125 0.000000 BFGS: 286 16:00:43 -155.945125 0.000000 BFGS: 287 16:00:43 -155.945125 0.000000 BFGS: 288 16:00:43 -155.945125 0.000000 BFGS: 289 16:00:43 -155.945125 0.000000 BFGS: 290 16:00:44 -155.945125 0.000000 BFGS: 291 16:00:44 -155.945125 0.000000 BFGS: 292 16:00:44 -155.945125 0.000000 BFGS: 293 16:00:44 -155.945125 0.000000 BFGS: 294 16:00:44 -155.945125 0.000000 BFGS: 295 16:00:44 -155.945125 0.000000 BFGS: 296 16:00:44 -155.945125 0.000000 BFGS: 297 16:00:44 -155.945125 0.000000 BFGS: 298 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16:01:21 -155.945125 0.000000 BFGS: 724 16:01:21 -155.945125 0.000000 BFGS: 725 16:01:21 -155.945125 0.000000 BFGS: 726 16:01:21 -155.945125 0.000000 BFGS: 727 16:01:21 -155.945125 0.000000 BFGS: 728 16:01:21 -155.945125 0.000000 BFGS: 729 16:01:22 -155.945125 0.000000 BFGS: 730 16:01:22 -155.945125 0.000000 BFGS: 731 16:01:22 -155.945125 0.000000 BFGS: 732 16:01:22 -155.945125 0.000000 BFGS: 733 16:01:22 -155.945125 0.000000 BFGS: 734 16:01:22 -155.945125 0.000000 BFGS: 735 16:01:22 -155.945125 0.000000 BFGS: 736 16:01:22 -155.945125 0.000000 BFGS: 737 16:01:22 -155.945125 0.000000 BFGS: 738 16:01:22 -155.945125 0.000000 BFGS: 739 16:01:22 -155.945125 0.000000 BFGS: 740 16:01:23 -155.945125 0.000000 BFGS: 741 16:01:23 -155.945125 0.000000 BFGS: 742 16:01:23 -155.945125 0.000000 BFGS: 743 16:01:23 -155.945125 0.000000 BFGS: 744 16:01:23 -155.945125 0.000000 BFGS: 745 16:01:23 -155.945125 0.000000 BFGS: 746 16:01:23 -155.945125 0.000000 BFGS: 747 16:01:23 -155.945125 0.000000 BFGS: 748 16:01:23 -155.945125 0.000000 BFGS: 749 16:01:23 -155.945125 0.000000 BFGS: 750 16:01:24 -155.945125 0.000000 BFGS: 751 16:01:24 -155.945125 0.000000 BFGS: 752 16:01:24 -155.945125 0.000000 BFGS: 753 16:01:24 -155.945125 0.000000 BFGS: 754 16:01:24 -155.945125 0.000000 BFGS: 755 16:01:24 -155.945125 0.000000 BFGS: 756 16:01:24 -155.945125 0.000000 BFGS: 757 16:01:24 -155.945125 0.000000 BFGS: 758 16:01:24 -155.945125 0.000000 BFGS: 759 16:01:24 -155.945125 0.000000 BFGS: 760 16:01:24 -155.945125 0.000000 BFGS: 761 16:01:25 -155.945125 0.000000 BFGS: 762 16:01:25 -155.945125 0.000000 BFGS: 763 16:01:25 -155.945125 0.000000 BFGS: 764 16:01:25 -155.945125 0.000000 BFGS: 765 16:01:25 -155.945125 0.000000 BFGS: 766 16:01:25 -155.945125 0.000000 BFGS: 767 16:01:25 -155.945125 0.000000 BFGS: 768 16:01:25 -155.945125 0.000000 BFGS: 769 16:01:25 -155.945125 0.000000 BFGS: 770 16:01:25 -155.945125 0.000000 BFGS: 771 16:01:25 -155.945125 0.000000 BFGS: 772 16:01:26 -155.945125 0.000000 BFGS: 773 16:01:26 -155.945125 0.000000 BFGS: 774 16:01:26 -155.945125 0.000000 BFGS: 775 16:01:26 -155.945125 0.000000 BFGS: 776 16:01:26 -155.945125 0.000000 BFGS: 777 16:01:26 -155.945125 0.000000 BFGS: 778 16:01:26 -155.945125 0.000000 BFGS: 779 16:01:26 -155.945125 0.000000 BFGS: 780 16:01:26 -155.945125 0.000000 BFGS: 781 16:01:26 -155.945125 0.000000 BFGS: 782 16:01:26 -155.945125 0.000000 BFGS: 783 16:01:27 -155.945125 0.000000 BFGS: 784 16:01:27 -155.945125 0.000000 BFGS: 785 16:01:27 -155.945125 0.000000 BFGS: 786 16:01:27 -155.945125 0.000000 BFGS: 787 16:01:27 -155.945125 0.000000 BFGS: 788 16:01:27 -155.945125 0.000000 BFGS: 789 16:01:27 -155.945125 0.000000 BFGS: 790 16:01:27 -155.945125 0.000000 BFGS: 791 16:01:27 -155.945125 0.000000 BFGS: 792 16:01:27 -155.945125 0.000000 BFGS: 793 16:01:27 -155.945125 0.000000 BFGS: 794 16:01:28 -155.945125 0.000000 BFGS: 795 16:01:28 -155.945125 0.000000 BFGS: 796 16:01:28 -155.945125 0.000000 BFGS: 797 16:01:28 -155.945125 0.000000 BFGS: 798 16:01:28 -155.945125 0.000000 BFGS: 799 16:01:28 -155.945125 0.000000 BFGS: 800 16:01:28 -155.945125 0.000000 BFGS: 801 16:01:28 -155.945125 0.000000 BFGS: 802 16:01:28 -155.945125 0.000000 BFGS: 803 16:01:28 -155.945125 0.000000 BFGS: 804 16:01:28 -155.945125 0.000000 BFGS: 805 16:01:28 -155.945125 0.000000 BFGS: 806 16:01:29 -155.945125 0.000000 BFGS: 807 16:01:29 -155.945125 0.000000 BFGS: 808 16:01:29 -155.945125 0.000000 BFGS: 809 16:01:29 -155.945125 0.000000 BFGS: 810 16:01:29 -155.945125 0.000000 BFGS: 811 16:01:29 -155.945125 0.000000 BFGS: 812 16:01:29 -155.945125 0.000000 BFGS: 813 16:01:29 -155.945125 0.000000 BFGS: 814 16:01:29 -155.945125 0.000000 BFGS: 815 16:01:29 -155.945125 0.000000 BFGS: 816 16:01:29 -155.945125 0.000000 BFGS: 817 16:01:30 -155.945125 0.000000 BFGS: 818 16:01:30 -155.945125 0.000000 BFGS: 819 16:01:30 -155.945125 0.000000 BFGS: 820 16:01:30 -155.945125 0.000000 BFGS: 821 16:01:30 -155.945125 0.000000 BFGS: 822 16:01:30 -155.945125 0.000000 BFGS: 823 16:01:30 -155.945125 0.000000 BFGS: 824 16:01:30 -155.945125 0.000000 BFGS: 825 16:01:30 -155.945125 0.000000 BFGS: 826 16:01:30 -155.945125 0.000000 BFGS: 827 16:01:30 -155.945125 0.000000 BFGS: 828 16:01:30 -155.945125 0.000000 BFGS: 829 16:01:31 -155.945125 0.000000 BFGS: 830 16:01:31 -155.945125 0.000000 BFGS: 831 16:01:31 -155.945125 0.000000 BFGS: 832 16:01:31 -155.945125 0.000000 BFGS: 833 16:01:31 -155.945125 0.000000 BFGS: 834 16:01:31 -155.945125 0.000000 BFGS: 835 16:01:31 -155.945125 0.000000 BFGS: 836 16:01:31 -155.945125 0.000000 BFGS: 837 16:01:31 -155.945125 0.000000 BFGS: 838 16:01:31 -155.945125 0.000000 BFGS: 839 16:01:31 -155.945125 0.000000 BFGS: 840 16:01:31 -155.945125 0.000000 BFGS: 841 16:01:32 -155.945125 0.000000 BFGS: 842 16:01:32 -155.945125 0.000000 BFGS: 843 16:01:32 -155.945125 0.000000 BFGS: 844 16:01:32 -155.945125 0.000000 BFGS: 845 16:01:32 -155.945125 0.000000 BFGS: 846 16:01:32 -155.945125 0.000000 BFGS: 847 16:01:32 -155.945125 0.000000 BFGS: 848 16:01:32 -155.945125 0.000000 BFGS: 849 16:01:32 -155.945125 0.000000 BFGS: 850 16:01:32 -155.945125 0.000000 BFGS: 851 16:01:32 -155.945125 0.000000 BFGS: 852 16:01:32 -155.945125 0.000000 BFGS: 853 16:01:33 -155.945125 0.000000 BFGS: 854 16:01:33 -155.945125 0.000000 BFGS: 855 16:01:33 -155.945125 0.000000 BFGS: 856 16:01:33 -155.945125 0.000000 BFGS: 857 16:01:33 -155.945125 0.000000 BFGS: 858 16:01:33 -155.945125 0.000000 BFGS: 859 16:01:33 -155.945125 0.000000 BFGS: 860 16:01:33 -155.945125 0.000000 BFGS: 861 16:01:33 -155.945125 0.000000 BFGS: 862 16:01:33 -155.945125 0.000000 BFGS: 863 16:01:33 -155.945125 0.000000 BFGS: 864 16:01:34 -155.945125 0.000000 BFGS: 865 16:01:34 -155.945125 0.000000 BFGS: 866 16:01:34 -155.945125 0.000000 BFGS: 867 16:01:34 -155.945125 0.000000 BFGS: 868 16:01:34 -155.945125 0.000000 BFGS: 869 16:01:34 -155.945125 0.000000 BFGS: 870 16:01:34 -155.945125 0.000000 BFGS: 871 16:01:34 -155.945125 0.000000 BFGS: 872 16:01:34 -155.945125 0.000000 BFGS: 873 16:01:34 -155.945125 0.000000 BFGS: 874 16:01:34 -155.945125 0.000000 BFGS: 875 16:01:34 -155.945125 0.000000 BFGS: 876 16:01:35 -155.945125 0.000000 BFGS: 877 16:01:35 -155.945125 0.000000 BFGS: 878 16:01:35 -155.945125 0.000000 BFGS: 879 16:01:35 -155.945125 0.000000 BFGS: 880 16:01:35 -155.945125 0.000000 BFGS: 881 16:01:35 -155.945125 0.000000 BFGS: 882 16:01:35 -155.945125 0.000000 BFGS: 883 16:01:35 -155.945125 0.000000 BFGS: 884 16:01:35 -155.945125 0.000000 BFGS: 885 16:01:35 -155.945125 0.000000 BFGS: 886 16:01:35 -155.945125 0.000000 BFGS: 887 16:01:35 -155.945125 0.000000 BFGS: 888 16:01:36 -155.945125 0.000000 BFGS: 889 16:01:36 -155.945125 0.000000 BFGS: 890 16:01:36 -155.945125 0.000000 BFGS: 891 16:01:36 -155.945125 0.000000 BFGS: 892 16:01:36 -155.945125 0.000000 BFGS: 893 16:01:36 -155.945125 0.000000 BFGS: 894 16:01:36 -155.945125 0.000000 BFGS: 895 16:01:36 -155.945125 0.000000 BFGS: 896 16:01:36 -155.945125 0.000000 BFGS: 897 16:01:36 -155.945125 0.000000 BFGS: 898 16:01:36 -155.945125 0.000000 BFGS: 899 16:01:36 -155.945125 0.000000 BFGS: 900 16:01:36 -155.945125 0.000000 BFGS: 901 16:01:36 -155.945125 0.000000 BFGS: 902 16:01:36 -155.945125 0.000000 BFGS: 903 16:01:36 -155.945125 0.000000 BFGS: 904 16:01:37 -155.945125 0.000000 BFGS: 905 16:01:37 -155.945125 0.000000 BFGS: 906 16:01:37 -155.945125 0.000000 BFGS: 907 16:01:37 -155.945125 0.000000 BFGS: 908 16:01:37 -155.945125 0.000000 BFGS: 909 16:01:37 -155.945125 0.000000 BFGS: 910 16:01:37 -155.945125 0.000000 BFGS: 911 16:01:37 -155.945125 0.000000 BFGS: 912 16:01:37 -155.945125 0.000000 BFGS: 913 16:01:37 -155.945125 0.000000 BFGS: 914 16:01:37 -155.945125 0.000000 BFGS: 915 16:01:37 -155.945125 0.000000 BFGS: 916 16:01:37 -155.945125 0.000000 BFGS: 917 16:01:37 -155.945125 0.000000 BFGS: 918 16:01:37 -155.945125 0.000000 BFGS: 919 16:01:37 -155.945125 0.000000 BFGS: 920 16:01:38 -155.945125 0.000000 BFGS: 921 16:01:38 -155.945125 0.000000 BFGS: 922 16:01:38 -155.945125 0.000000 BFGS: 923 16:01:38 -155.945125 0.000000 BFGS: 924 16:01:38 -155.945125 0.000000 BFGS: 925 16:01:38 -155.945125 0.000000 BFGS: 926 16:01:38 -155.945125 0.000000 BFGS: 927 16:01:38 -155.945125 0.000000 BFGS: 928 16:01:38 -155.945125 0.000000 BFGS: 929 16:01:38 -155.945125 0.000000 BFGS: 930 16:01:38 -155.945125 0.000000 BFGS: 931 16:01:38 -155.945125 0.000000 BFGS: 932 16:01:38 -155.945125 0.000000 BFGS: 933 16:01:38 -155.945125 0.000000 BFGS: 934 16:01:38 -155.945125 0.000000 BFGS: 935 16:01:38 -155.945125 0.000000 BFGS: 936 16:01:38 -155.945125 0.000000 BFGS: 937 16:01:39 -155.945125 0.000000 Minimization converged after 937 steps. Maximum force component: 6.95846036347092e-09 eV/Angstrom Maximum stress component: 5.54088351802977e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.19453719 0.08663741 0.58850838] [0.00618383 0.33958369 0.76851036] [0.06614034 0.65668548 0.20979714] [0.78220761 0.21442179 0.33510848] [0.29011656 0.78184738 0.64319902] [0.71288396 0.76080863 0.82026753] [0.35944021 0.23546053 0.15803997] [0.58606152 0.1652287 0.74769956] [0.48626265 0.83104047 0.23060794] [0.44648508 0.28410276 0.93784045] [0.62583909 0.71216641 0.04046705] [0.69640755 0.94847318 0.69899926] [0.37591662 0.04779599 0.27930824] [0.23693284 0.60375546 0.90054526] [0.83539132 0.39251371 0.07776224] [0.87778698 0.90963175 0.38979912] [0.3983833 0.92114135 0.33769609] [0.67394086 0.07512782 0.64061141] [0.31523381 0.18629412 0.29011785] [0.75709035 0.80997504 0.68818965] [0.56224173 0.70109017 0.18110297] [0.51008243 0.295179 0.79720453] [0.71082306 0.65504357 0.91206859] [0.36150111 0.34122559 0.06623891]] cellpar = Cell([[3.0479331104738705, 0.003050866708085043, 0.0007009440095155821], [1.2085102192761323, 11.851318498491151, -0.0018460190855761308], [1.471706017760584, 0.03966767958024318, 11.673078934435342]]) forces = [[-1.21201385e-09 1.29983427e-09 -4.84621387e-09] [-1.21720836e-09 6.95846036e-09 -1.85924409e-09] [ 4.74891071e-10 -4.74746742e-09 3.69166309e-09] [ 8.48411758e-10 -3.44659445e-09 -5.73881331e-09] [-1.09841783e-09 3.53590823e-09 5.68541658e-09] [-1.41502365e-11 5.02948634e-09 5.66450090e-09] [ 2.65415467e-12 -6.52026720e-09 -6.09064593e-09] [-1.06430690e-09 4.77091108e-09 -5.39344830e-09] [ 8.35002067e-10 -4.68798213e-09 5.17972995e-09] [ 8.12567735e-10 -3.39432510e-11 -4.95785890e-09] [ 1.46801099e-09 -8.41985079e-10 5.11840759e-09] [-3.81414706e-10 4.71836370e-09 1.30168419e-09] [ 1.17886197e-09 -5.06709363e-09 -1.74533978e-09] [ 7.46912532e-11 3.99704980e-09 4.08442002e-10] [-2.94121311e-10 -4.06996015e-09 9.26092203e-10] [ 9.60293706e-10 -3.87237464e-10 3.16586557e-09] [ 1.27598143e-09 -2.10199130e-09 3.25965188e-09] [-8.26696159e-10 2.17391155e-09 -4.23207705e-09] [ 9.37736749e-10 -4.58068306e-09 -5.65254243e-09] [-1.62412411e-09 3.97990330e-09 5.77829884e-09] [ 1.01240683e-10 -4.57970373e-09 4.61456451e-09] [-1.30282338e-09 5.15511822e-09 -4.57741189e-09] [ 1.42277963e-10 3.44132657e-09 2.77752532e-09] [-7.73416331e-11 -3.99535960e-09 -2.47824539e-09]] stress = [-1.70947239e-11 8.34148835e-11 -3.49899454e-11 5.54088352e-10 -1.27057791e-10 3.02042630e-11] energy per atom = -6.497713525802936 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A2B_aP24_1_16a_8a, while relaxed is A2B_aP24_2_8i_4i. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.