element(s): ['N', 'O'] AFLOW prototype label: AB2_mP12_14_e_2e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['6.1702', '0.79013646', '1.1027195', '118.0594', '0.84074191', '0.99737673', '0.97999436', '0.72168077', '0.80976473', '0.86474368', '0.79935321', '0.18189153', '0.075242071'] Parameter values for parameter set 1: ['7.1001', '0.70591963', '0.96874692', '128.6149', '0.14623711', '0.99733928', '0.15927647', '0.16074547', '0.81527737', '0.28245846', '0.27851442', '0.17611624', '0.19687085'] model name: Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['N', 'O', 'O'] representative atom coordinates = [[0.88075319 0.99737673 0.86074755] [0.99219341 0.80976473 0.85693709] [0.64886907 0.18189153 0.72411114]] spacegroup = 14 cell = [[6.6985, 0, 0], [0, 4.8753, 0], [-9.4340156494458, 0, 5.5307217626647]] ========================================= Step Time Energy fmax BFGS: 0 13:30:52 -27.752509 8.3774 BFGS: 1 13:30:52 -30.853128 3.4495 BFGS: 2 13:30:52 -31.637885 0.7827 BFGS: 3 13:30:52 -31.699512 0.6848 BFGS: 4 13:30:52 -32.024604 0.8108 BFGS: 5 13:30:52 -32.287516 0.6645 BFGS: 6 13:30:52 -32.524152 0.9112 BFGS: 7 13:30:52 -32.765381 1.5444 BFGS: 8 13:30:52 -32.989914 2.2844 BFGS: 9 13:30:52 -33.171800 3.0194 BFGS: 10 13:30:52 -33.310277 3.6975 BFGS: 11 13:30:52 -33.435825 4.2317 BFGS: 12 13:30:52 -33.552177 4.5949 BFGS: 13 13:30:52 -33.659306 4.7505 BFGS: 14 13:30:52 -33.773929 4.6762 BFGS: 15 13:30:52 -33.897438 4.3409 BFGS: 16 13:30:52 -34.027973 4.2382 BFGS: 17 13:30:52 -34.156363 4.0491 BFGS: 18 13:30:52 -34.278715 3.7174 BFGS: 19 13:30:52 -34.380287 3.3215 BFGS: 20 13:30:52 -34.483014 2.8478 BFGS: 21 13:30:52 -34.583995 2.2876 BFGS: 22 13:30:52 -34.675040 1.6780 BFGS: 23 13:30:52 -34.750259 1.0417 BFGS: 24 13:30:52 -34.807646 0.4710 BFGS: 25 13:30:52 -34.845615 0.6976 BFGS: 26 13:30:53 -34.868375 0.9983 BFGS: 27 13:30:53 -34.883023 1.1854 BFGS: 28 13:30:53 -34.910236 1.4539 BFGS: 29 13:30:53 -34.941068 1.6145 BFGS: 30 13:30:53 -34.987651 1.5863 BFGS: 31 13:30:53 -35.050054 1.3493 BFGS: 32 13:30:53 -35.114625 0.9557 BFGS: 33 13:30:53 -35.169118 0.4646 BFGS: 34 13:30:53 -35.206656 0.2659 BFGS: 35 13:30:53 -35.224983 0.7460 BFGS: 36 13:30:53 -35.238256 0.8110 BFGS: 37 13:30:53 -35.263086 0.7151 BFGS: 38 13:30:53 -35.282771 0.5799 BFGS: 39 13:30:53 -35.297465 0.4757 BFGS: 40 13:30:53 -35.308897 0.3967 BFGS: 41 13:30:53 -35.318138 0.3369 BFGS: 42 13:30:53 -35.325913 0.2872 BFGS: 43 13:30:53 -35.332610 0.2486 BFGS: 44 13:30:53 -35.338546 0.2131 BFGS: 45 13:30:53 -35.343822 0.1889 BFGS: 46 13:30:53 -35.348633 0.1569 BFGS: 47 13:30:53 -35.351792 0.1583 BFGS: 48 13:30:53 -35.355609 0.1206 BFGS: 49 13:30:53 -35.359020 0.1319 BFGS: 50 13:30:53 -35.362273 0.0637 BFGS: 51 13:30:53 -35.364702 0.1015 BFGS: 52 13:30:53 -35.366947 0.0731 BFGS: 53 13:30:53 -35.368719 0.0671 BFGS: 54 13:30:53 -35.370102 0.0482 BFGS: 55 13:30:53 -35.371127 0.0346 BFGS: 56 13:30:53 -35.371821 0.0261 BFGS: 57 13:30:53 -35.372184 0.0263 BFGS: 58 13:30:53 -35.372393 0.0252 BFGS: 59 13:30:53 -35.372752 0.0297 BFGS: 60 13:30:53 -35.373019 0.0358 BFGS: 61 13:30:53 -35.373154 0.0335 BFGS: 62 13:30:53 -35.373220 0.0380 BFGS: 63 13:30:53 -35.373280 0.0395 BFGS: 64 13:30:53 -35.373449 0.0458 BFGS: 65 13:30:53 -35.373864 0.0600 BFGS: 66 13:30:53 -35.374796 0.0951 BFGS: 67 13:30:53 -35.376368 0.1715 BFGS: 68 13:30:53 -35.378414 0.2207 BFGS: 69 13:30:53 -35.380423 0.1498 BFGS: 70 13:30:53 -35.381836 0.0980 BFGS: 71 13:30:53 -35.382128 0.0196 BFGS: 72 13:30:53 -35.382368 0.0692 BFGS: 73 13:30:53 -35.382495 0.0437 BFGS: 74 13:30:53 -35.382548 0.0262 BFGS: 75 13:30:54 -35.382556 0.0329 BFGS: 76 13:30:54 -35.382568 0.0245 BFGS: 77 13:30:54 -35.382576 0.0208 BFGS: 78 13:30:54 -35.382605 0.0289 BFGS: 79 13:30:54 -35.382655 0.0443 BFGS: 80 13:30:54 -35.382784 0.0748 BFGS: 81 13:30:54 -35.383086 0.1169 BFGS: 82 13:30:54 -35.383795 0.1682 BFGS: 83 13:30:54 -35.384641 0.2003 BFGS: 84 13:30:54 -35.385703 0.2293 BFGS: 85 13:30:54 -35.387314 0.2270 BFGS: 86 13:30:54 -35.388529 0.0907 BFGS: 87 13:30:54 -35.389048 0.1108 BFGS: 88 13:30:54 -35.389216 0.0880 BFGS: 89 13:30:54 -35.389447 0.0794 BFGS: 90 13:30:54 -35.389758 0.0724 BFGS: 91 13:30:54 -35.389540 0.1546 BFGS: 92 13:30:54 -35.390035 0.0267 BFGS: 93 13:30:54 -35.390123 0.0549 BFGS: 94 13:30:54 -35.390203 0.0345 BFGS: 95 13:30:54 -35.390228 0.0214 BFGS: 96 13:30:54 -35.390236 0.0195 BFGS: 97 13:30:54 -35.390245 0.0162 BFGS: 98 13:30:54 -35.390259 0.0136 BFGS: 99 13:30:54 -35.390290 0.0177 BFGS: 100 13:30:54 -35.390347 0.0168 BFGS: 101 13:30:54 -35.390447 0.0349 BFGS: 102 13:30:54 -35.390609 0.0275 BFGS: 103 13:30:54 -35.390940 0.0586 BFGS: 104 13:30:54 -35.391397 0.0393 BFGS: 105 13:30:54 -35.391567 0.0766 BFGS: 106 13:30:54 -35.391731 0.0370 BFGS: 107 13:30:54 -35.391764 0.0215 BFGS: 108 13:30:54 -35.391773 0.0255 BFGS: 109 13:30:54 -35.391782 0.0198 BFGS: 110 13:30:54 -35.391793 0.0175 BFGS: 111 13:30:54 -35.391799 0.0121 BFGS: 112 13:30:54 -35.391802 0.0131 BFGS: 113 13:30:54 -35.391805 0.0151 BFGS: 114 13:30:54 -35.391813 0.0203 BFGS: 115 13:30:54 -35.391832 0.0290 BFGS: 116 13:30:54 -35.391878 0.0440 BFGS: 117 13:30:54 -35.391995 0.0688 BFGS: 118 13:30:54 -35.392285 0.0939 BFGS: 119 13:30:54 -35.392699 0.0719 BFGS: 120 13:30:54 -35.392901 0.0523 BFGS: 121 13:30:54 -35.392953 0.0215 BFGS: 122 13:30:54 -35.393003 0.0316 BFGS: 123 13:30:54 -35.393026 0.0241 BFGS: 124 13:30:54 -35.393042 0.0206 BFGS: 125 13:30:54 -35.393055 0.0147 BFGS: 126 13:30:54 -35.393063 0.0135 BFGS: 127 13:30:54 -35.393065 0.0091 BFGS: 128 13:30:54 -35.393066 0.0121 BFGS: 129 13:30:54 -35.393067 0.0120 BFGS: 130 13:30:54 -35.393078 0.0127 BFGS: 131 13:30:55 -35.393099 0.0160 BFGS: 132 13:30:55 -35.393144 0.0210 BFGS: 133 13:30:55 -35.393242 0.0253 BFGS: 134 13:30:55 -35.393444 0.0404 BFGS: 135 13:30:55 -35.393669 0.0570 BFGS: 136 13:30:55 -35.393891 0.0570 BFGS: 137 13:30:55 -35.394120 0.0500 BFGS: 138 13:30:55 -35.394334 0.0214 BFGS: 139 13:30:55 -35.394472 0.0282 BFGS: 140 13:30:55 -35.394524 0.0620 BFGS: 141 13:30:55 -35.394560 0.0290 BFGS: 142 13:30:55 -35.394582 0.0250 BFGS: 143 13:30:55 -35.394608 0.0453 BFGS: 144 13:30:55 -35.394628 0.0251 BFGS: 145 13:30:55 -35.394642 0.0120 BFGS: 146 13:30:55 -35.394656 0.0210 BFGS: 147 13:30:55 -35.394669 0.0214 BFGS: 148 13:30:55 -35.394679 0.0146 BFGS: 149 13:30:55 -35.394684 0.0099 BFGS: 150 13:30:55 -35.394685 0.0093 BFGS: 151 13:30:55 -35.394686 0.0074 BFGS: 152 13:30:55 -35.394686 0.0084 BFGS: 153 13:30:55 -35.394687 0.0093 BFGS: 154 13:30:55 -35.394687 0.0097 BFGS: 155 13:30:55 -35.394687 0.0097 BFGS: 156 13:30:55 -35.394687 0.0099 BFGS: 157 13:30:55 -35.394687 0.0101 BFGS: 158 13:30:55 -35.394687 0.0102 BFGS: 159 13:30:55 -35.394687 0.0105 BFGS: 160 13:30:55 -35.394688 0.0109 BFGS: 161 13:30:55 -35.394690 0.0117 BFGS: 162 13:30:55 -35.394696 0.0132 BFGS: 163 13:30:55 -35.394709 0.0161 BFGS: 164 13:30:55 -35.394736 0.0219 BFGS: 165 13:30:55 -35.394785 0.0228 BFGS: 166 13:30:55 -35.394847 0.0339 BFGS: 167 13:30:55 -35.394891 0.0313 BFGS: 168 13:30:55 -35.394944 0.0317 BFGS: 169 13:30:55 -35.394962 0.0124 BFGS: 170 13:30:55 -35.394972 0.0203 BFGS: 171 13:30:55 -35.394978 0.0126 BFGS: 172 13:30:55 -35.394979 0.0110 BFGS: 173 13:30:55 -35.394980 0.0098 BFGS: 174 13:30:55 -35.394980 0.0096 BFGS: 175 13:30:55 -35.394980 0.0093 BFGS: 176 13:30:55 -35.394980 0.0089 BFGS: 177 13:30:55 -35.394981 0.0087 BFGS: 178 13:30:55 -35.394981 0.0081 BFGS: 179 13:30:55 -35.394981 0.0084 BFGS: 180 13:30:55 -35.394982 0.0082 BFGS: 181 13:30:55 -35.394982 0.0089 BFGS: 182 13:30:55 -35.394983 0.0107 BFGS: 183 13:30:55 -35.394985 0.0128 BFGS: 184 13:30:56 -35.394990 0.0171 BFGS: 185 13:30:56 -35.395003 0.0240 BFGS: 186 13:30:56 -35.395024 0.0273 BFGS: 187 13:30:56 -35.395039 0.0200 BFGS: 188 13:30:56 -35.395044 0.0128 BFGS: 189 13:30:56 -35.395046 0.0103 BFGS: 190 13:30:56 -35.395046 0.0097 BFGS: 191 13:30:56 -35.395046 0.0090 BFGS: 192 13:30:56 -35.395046 0.0090 BFGS: 193 13:30:56 -35.395046 0.0090 BFGS: 194 13:30:56 -35.395046 0.0089 BFGS: 195 13:30:56 -35.395046 0.0089 BFGS: 196 13:30:56 -35.395046 0.0089 BFGS: 197 13:30:56 -35.395046 0.0092 BFGS: 198 13:30:56 -35.395047 0.0100 BFGS: 199 13:30:56 -35.395048 0.0111 BFGS: 200 13:30:56 -35.395050 0.0129 BFGS: 201 13:30:56 -35.395058 0.0155 BFGS: 202 13:30:56 -35.395071 0.0179 BFGS: 203 13:30:56 -35.395085 0.0195 BFGS: 204 13:30:56 -35.395102 0.0200 BFGS: 205 13:30:56 -35.395118 0.0206 BFGS: 206 13:30:56 -35.395137 0.0194 BFGS: 207 13:30:56 -35.395155 0.0194 BFGS: 208 13:30:56 -35.395175 0.0175 BFGS: 209 13:30:56 -35.395194 0.0183 BFGS: 210 13:30:56 -35.395214 0.0176 BFGS: 211 13:30:56 -35.395233 0.0177 BFGS: 212 13:30:56 -35.395252 0.0180 BFGS: 213 13:30:56 -35.395271 0.0172 BFGS: 214 13:30:56 -35.395290 0.0185 BFGS: 215 13:30:56 -35.395308 0.0171 BFGS: 216 13:30:56 -35.395326 0.0177 BFGS: 217 13:30:56 -35.395344 0.0170 BFGS: 218 13:30:56 -35.395362 0.0171 BFGS: 219 13:30:56 -35.395381 0.0165 BFGS: 220 13:30:56 -35.395400 0.0163 BFGS: 221 13:30:56 -35.395419 0.0153 BFGS: 222 13:30:56 -35.395439 0.0150 BFGS: 223 13:30:56 -35.395459 0.0135 BFGS: 224 13:30:56 -35.395479 0.0129 BFGS: 225 13:30:56 -35.395501 0.0114 BFGS: 226 13:30:56 -35.395521 0.0121 BFGS: 227 13:30:56 -35.395542 0.0145 BFGS: 228 13:30:56 -35.395560 0.0206 BFGS: 229 13:30:56 -35.395576 0.0292 BFGS: 230 13:30:56 -35.395588 0.0369 BFGS: 231 13:30:56 -35.395601 0.0368 BFGS: 232 13:30:56 -35.395620 0.0265 BFGS: 233 13:30:56 -35.395635 0.0169 BFGS: 234 13:30:56 -35.395646 0.0266 BFGS: 235 13:30:56 -35.395661 0.0098 BFGS: 236 13:30:57 -35.395665 0.0166 BFGS: 237 13:30:57 -35.395669 0.0092 BFGS: 238 13:30:57 -35.395669 0.0100 BFGS: 239 13:30:57 -35.395670 0.0085 BFGS: 240 13:30:57 -35.395670 0.0087 BFGS: 241 13:30:57 -35.395670 0.0087 BFGS: 242 13:30:57 -35.395670 0.0086 BFGS: 243 13:30:57 -35.395670 0.0084 BFGS: 244 13:30:57 -35.395670 0.0083 BFGS: 245 13:30:57 -35.395670 0.0083 BFGS: 246 13:30:57 -35.395670 0.0083 BFGS: 247 13:30:57 -35.395670 0.0084 BFGS: 248 13:30:57 -35.395670 0.0084 BFGS: 249 13:30:57 -35.395670 0.0084 BFGS: 250 13:30:57 -35.395670 0.0085 BFGS: 251 13:30:57 -35.395670 0.0085 BFGS: 252 13:30:57 -35.395670 0.0085 BFGS: 253 13:30:57 -35.395670 0.0085 BFGS: 254 13:30:57 -35.395670 0.0085 BFGS: 255 13:30:57 -35.395670 0.0085 BFGS: 256 13:30:57 -35.395670 0.0085 BFGS: 257 13:30:57 -35.395670 0.0085 BFGS: 258 13:30:57 -35.395670 0.0085 BFGS: 259 13:30:57 -35.395670 0.0085 BFGS: 260 13:30:57 -35.395670 0.0085 BFGS: 261 13:30:57 -35.395670 0.0084 BFGS: 262 13:30:57 -35.395670 0.0084 BFGS: 263 13:30:57 -35.395670 0.0084 BFGS: 264 13:30:57 -35.395670 0.0084 BFGS: 265 13:30:57 -35.395670 0.0084 BFGS: 266 13:30:57 -35.395670 0.0085 BFGS: 267 13:30:57 -35.395670 0.0087 BFGS: 268 13:30:57 -35.395671 0.0092 BFGS: 269 13:30:57 -35.395673 0.0104 BFGS: 270 13:30:57 -35.395678 0.0131 BFGS: 271 13:30:57 -35.395691 0.0180 BFGS: 272 13:30:57 -35.395727 0.0233 BFGS: 273 13:30:57 -35.395788 0.0186 BFGS: 274 13:30:57 -35.395881 0.0146 BFGS: 275 13:30:57 -35.396039 0.0226 BFGS: 276 13:30:57 -35.396225 0.0535 BFGS: 277 13:30:57 -35.396477 0.0283 BFGS: 278 13:30:57 -35.396656 0.0585 BFGS: 279 13:30:57 -35.396913 0.0533 BFGS: 280 13:30:57 -35.397229 0.0533 BFGS: 281 13:30:57 -35.397964 0.1594 BFGS: 282 13:30:57 -35.398265 0.1073 BFGS: 283 13:30:57 -35.398342 0.0883 BFGS: 284 13:30:57 -35.398463 0.0681 BFGS: 285 13:30:57 -35.398679 0.0328 BFGS: 286 13:30:57 -35.398717 0.0229 BFGS: 287 13:30:57 -35.398751 0.0236 BFGS: 288 13:30:57 -35.398803 0.0184 BFGS: 289 13:30:57 -35.398832 0.0219 BFGS: 290 13:30:58 -35.398875 0.0199 BFGS: 291 13:30:58 -35.398904 0.0227 BFGS: 292 13:30:58 -35.398942 0.0228 BFGS: 293 13:30:58 -35.398976 0.0246 BFGS: 294 13:30:58 -35.399017 0.0250 BFGS: 295 13:30:58 -35.399055 0.0265 BFGS: 296 13:30:58 -35.399104 0.0266 BFGS: 297 13:30:58 -35.399147 0.0282 BFGS: 298 13:30:58 -35.399208 0.0277 BFGS: 299 13:30:58 -35.399257 0.0294 BFGS: 300 13:30:58 -35.399332 0.0286 BFGS: 301 13:30:58 -35.399396 0.0299 BFGS: 302 13:30:58 -35.399497 0.0292 BFGS: 303 13:30:58 -35.399593 0.0305 BFGS: 304 13:30:58 -35.399785 0.0418 BFGS: 305 13:30:58 -35.399912 0.0212 BFGS: 306 13:30:58 -35.399976 0.0429 BFGS: 307 13:30:58 -35.400026 0.0421 BFGS: 308 13:30:58 -35.400083 0.0396 BFGS: 309 13:30:58 -35.400137 0.0315 BFGS: 310 13:30:58 -35.400181 0.0343 BFGS: 311 13:30:58 -35.400230 0.0290 BFGS: 312 13:30:58 -35.400273 0.0305 BFGS: 313 13:30:58 -35.400321 0.0265 BFGS: 314 13:30:58 -35.400365 0.0282 BFGS: 315 13:30:58 -35.400416 0.0247 BFGS: 316 13:30:58 -35.400464 0.0268 BFGS: 317 13:30:58 -35.400522 0.0231 BFGS: 318 13:30:58 -35.400576 0.0268 BFGS: 319 13:30:58 -35.400647 0.0232 BFGS: 320 13:30:58 -35.400707 0.0285 BFGS: 321 13:30:58 -35.400797 0.0273 BFGS: 322 13:30:58 -35.400880 0.0276 BFGS: 323 13:30:58 -35.400983 0.0473 BFGS: 324 13:30:58 -35.401205 0.0389 BFGS: 325 13:30:58 -35.401299 0.0291 BFGS: 326 13:30:58 -35.401217 0.1050 BFGS: 327 13:30:58 -35.401429 0.0304 BFGS: 328 13:30:58 -35.401485 0.0386 BFGS: 329 13:30:58 -35.401565 0.0194 BFGS: 330 13:30:58 -35.401608 0.0339 BFGS: 331 13:30:58 -35.401659 0.0317 BFGS: 332 13:30:58 -35.401704 0.0179 BFGS: 333 13:30:58 -35.401743 0.0278 BFGS: 334 13:30:58 -35.401773 0.0212 BFGS: 335 13:30:58 -35.401804 0.0164 BFGS: 336 13:30:58 -35.401799 0.0273 BFGS: 337 13:30:58 -35.401822 0.0156 BFGS: 338 13:30:58 -35.401826 0.0036 BFGS: 339 13:30:58 -35.401829 0.0027 BFGS: 340 13:30:58 -35.401832 0.0115 BFGS: 341 13:30:58 -35.401835 0.0025 BFGS: 342 13:30:59 -35.401835 0.0020 BFGS: 343 13:30:59 -35.401836 0.0012 BFGS: 344 13:30:59 -35.401836 0.0009 BFGS: 345 13:30:59 -35.401836 0.0009 BFGS: 346 13:30:59 -35.401836 0.0011 BFGS: 347 13:30:59 -35.401837 0.0008 BFGS: 348 13:30:59 -35.401837 0.0004 BFGS: 349 13:30:59 -35.401837 0.0004 BFGS: 350 13:30:59 -35.401837 0.0004 BFGS: 351 13:30:59 -35.401837 0.0004 BFGS: 352 13:30:59 -35.401837 0.0003 BFGS: 353 13:30:59 -35.401837 0.0004 BFGS: 354 13:30:59 -35.401837 0.0006 BFGS: 355 13:30:59 -35.401837 0.0015 BFGS: 356 13:30:59 -35.401837 0.0015 BFGS: 357 13:30:59 -35.401837 0.0003 BFGS: 358 13:30:59 -35.401837 0.0019 BFGS: 359 13:30:59 -35.401837 0.0003 BFGS: 360 13:30:59 -35.401837 0.0002 BFGS: 361 13:30:59 -35.401837 0.0009 BFGS: 362 13:30:59 -35.401837 0.0011 BFGS: 363 13:30:59 -35.401837 0.0006 BFGS: 364 13:30:59 -35.401837 0.0009 BFGS: 365 13:30:59 -35.401837 0.0005 BFGS: 366 13:30:59 -35.401837 0.0009 BFGS: 367 13:30:59 -35.401837 0.0002 BFGS: 368 13:30:59 -35.401837 0.0001 BFGS: 369 13:30:59 -35.401837 0.0009 BFGS: 370 13:30:59 -35.401838 0.0001 BFGS: 371 13:30:59 -35.401838 0.0001 BFGS: 372 13:30:59 -35.401837 0.0004 BFGS: 373 13:30:59 -35.401837 0.0001 BFGS: 374 13:30:59 -35.401837 0.0000 BFGS: 375 13:30:59 -35.401837 0.0000 BFGS: 376 13:30:59 -35.401837 0.0000 BFGS: 377 13:30:59 -35.401837 0.0000 BFGS: 378 13:30:59 -35.401837 0.0000 BFGS: 379 13:30:59 -35.401837 0.0000 BFGS: 380 13:30:59 -35.401837 0.0000 Minimization converged after 380 steps. Maximum force component: 5.695056539925433e-09 eV/Angstrom Maximum stress component: 1.551108055607648e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.84151399 0.97357383 0.78474707] [0.15848601 0.47357383 0.71525293] [0.15848601 0.02642617 0.21525293] [0.84151399 0.52642617 0.28474707] [0.77237921 0.73750755 0.73236523] [0.22762079 0.23750755 0.76763477] [0.22762079 0.26249245 0.26763477] [0.77237921 0.76249245 0.23236523] [0.5964969 0.10494422 0.70506041] [0.4035031 0.60494422 0.79493959] [0.4035031 0.89505578 0.29493959] [0.5964969 0.39505578 0.20506041]] cellpar = Cell([[7.609763870731037, -8.331044987423401e-17, -1.6020508701857523], [3.801738595902889e-17, 5.344465396398645, 2.450172306779718e-17], [-10.068397097333294, 1.4358925167442235e-16, 8.62164597982847]]) forces = [[ 2.79615690e-09 3.22925706e-09 2.39074510e-09] [-2.79615690e-09 3.22925706e-09 -2.39074510e-09] [-2.79615690e-09 -3.22925706e-09 -2.39074510e-09] [ 2.79615690e-09 -3.22925706e-09 2.39074510e-09] [ 4.46284258e-10 -5.69505654e-09 -1.41735343e-09] [-4.46284258e-10 -5.69505654e-09 1.41735343e-09] [-4.46284258e-10 5.69505654e-09 1.41735343e-09] [ 4.46284258e-10 5.69505654e-09 -1.41735343e-09] [-3.25182569e-09 2.55181441e-09 -6.29241468e-10] [ 3.25182569e-09 2.55181441e-09 6.29241468e-10] [ 3.25182569e-09 -2.55181441e-09 6.29241468e-10] [-3.25182569e-09 -2.55181441e-09 -6.29241468e-10]] stress = [-6.11795065e-11 -1.55110806e-10 -1.35841414e-11 3.19853122e-26 -1.66617009e-11 -2.72891533e-27] energy per atom = -2.8631311800389043 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['N', 'O', 'O'] representative atom coordinates = [[0.85376289 0.99733928 0.98696064] [0.83925453 0.81527737 0.87828701] [0.72148558 0.17611624 0.08164357]] spacegroup = 14 cell = [[6.0635, 0, 0], [0, 5.0121, 0], [2.7759618179143, 0, 6.2931447802734]] ========================================= Step Time Energy fmax BFGS: 0 13:31:00 -27.718480 8.4436 BFGS: 1 13:31:00 -30.795313 3.5320 BFGS: 2 13:31:00 -31.603893 0.8282 BFGS: 3 13:31:00 -31.675207 0.7388 BFGS: 4 13:31:00 -31.994265 0.9221 BFGS: 5 13:31:00 -32.259185 0.8190 BFGS: 6 13:31:01 -32.508498 0.8125 BFGS: 7 13:31:01 -32.757908 1.2072 BFGS: 8 13:31:01 -33.005367 1.8369 BFGS: 9 13:31:01 -33.242527 2.3917 BFGS: 10 13:31:01 -33.462028 2.8221 BFGS: 11 13:31:01 -33.660710 3.1236 BFGS: 12 13:31:01 -33.849070 3.2861 BFGS: 13 13:31:01 -33.990406 3.3055 BFGS: 14 13:31:01 -34.103024 3.1603 BFGS: 15 13:31:01 -34.194229 2.8617 BFGS: 16 13:31:01 -34.276671 2.7973 BFGS: 17 13:31:01 -34.356318 2.8011 BFGS: 18 13:31:01 -34.429364 2.7718 BFGS: 19 13:31:01 -34.491210 2.7248 BFGS: 20 13:31:01 -34.543268 2.8004 BFGS: 21 13:31:01 -34.589857 2.8837 BFGS: 22 13:31:01 -34.633956 2.9128 BFGS: 23 13:31:01 -34.675735 2.9001 BFGS: 24 13:31:01 -34.703175 2.8816 BFGS: 25 13:31:01 -34.742366 2.8157 BFGS: 26 13:31:01 -34.781159 2.7346 BFGS: 27 13:31:01 -34.818668 2.6446 BFGS: 28 13:31:01 -34.854520 2.5491 BFGS: 29 13:31:01 -34.888601 2.4500 BFGS: 30 13:31:01 -34.920893 2.3482 BFGS: 31 13:31:01 -34.951413 2.2444 BFGS: 32 13:31:01 -34.980225 2.1391 BFGS: 33 13:31:01 -35.007393 2.0326 BFGS: 34 13:31:01 -35.032980 1.9251 BFGS: 35 13:31:01 -35.057046 1.8170 BFGS: 36 13:31:01 -35.079647 1.7085 BFGS: 37 13:31:01 -35.100924 1.5998 BFGS: 38 13:31:01 -35.120738 1.4910 BFGS: 39 13:31:01 -35.139230 1.3827 BFGS: 40 13:31:01 -35.156446 1.2750 BFGS: 41 13:31:01 -35.172431 1.1681 BFGS: 42 13:31:01 -35.187227 1.0623 BFGS: 43 13:31:01 -35.200878 0.9578 BFGS: 44 13:31:01 -35.213429 0.8551 BFGS: 45 13:31:01 -35.224922 0.7542 BFGS: 46 13:31:01 -35.235405 0.6556 BFGS: 47 13:31:01 -35.244926 0.5596 BFGS: 48 13:31:01 -35.253535 0.4665 BFGS: 49 13:31:01 -35.261285 0.3767 BFGS: 50 13:31:01 -35.268229 0.2904 BFGS: 51 13:31:01 -35.274423 0.2080 BFGS: 52 13:31:01 -35.278555 0.1371 BFGS: 53 13:31:01 -35.282887 0.1424 BFGS: 54 13:31:01 -35.286996 0.1551 BFGS: 55 13:31:01 -35.290662 0.1839 BFGS: 56 13:31:01 -35.293942 0.1997 BFGS: 57 13:31:01 -35.296943 0.2259 BFGS: 58 13:31:01 -35.299703 0.2666 BFGS: 59 13:31:01 -35.302294 0.2966 BFGS: 60 13:31:01 -35.304745 0.3231 BFGS: 61 13:31:01 -35.307100 0.3403 BFGS: 62 13:31:01 -35.309375 0.3530 BFGS: 63 13:31:01 -35.311564 0.3577 BFGS: 64 13:31:01 -35.313701 0.3572 BFGS: 65 13:31:01 -35.315794 0.3495 BFGS: 66 13:31:01 -35.317833 0.3374 BFGS: 67 13:31:02 -35.319812 0.3193 BFGS: 68 13:31:02 -35.321712 0.2974 BFGS: 69 13:31:02 -35.323524 0.2704 BFGS: 70 13:31:02 -35.325227 0.2402 BFGS: 71 13:31:02 -35.326810 0.2060 BFGS: 72 13:31:02 -35.328255 0.1694 BFGS: 73 13:31:02 -35.329555 0.1349 BFGS: 74 13:31:02 -35.330697 0.1003 BFGS: 75 13:31:02 -35.331681 0.0658 BFGS: 76 13:31:02 -35.332509 0.0369 BFGS: 77 13:31:02 -35.333194 0.0409 BFGS: 78 13:31:02 -35.333762 0.0804 BFGS: 79 13:31:02 -35.334257 0.1175 BFGS: 80 13:31:02 -35.334738 0.1472 BFGS: 81 13:31:02 -35.335274 0.1708 BFGS: 82 13:31:02 -35.335905 0.1830 BFGS: 83 13:31:02 -35.336668 0.1882 BFGS: 84 13:31:02 -35.337548 0.1807 BFGS: 85 13:31:02 -35.338560 0.1677 BFGS: 86 13:31:02 -35.339632 0.1412 BFGS: 87 13:31:02 -35.340778 0.1124 BFGS: 88 13:31:02 -35.341869 0.0707 BFGS: 89 13:31:02 -35.342933 0.0409 BFGS: 90 13:31:02 -35.343834 0.0803 BFGS: 91 13:31:02 -35.344643 0.1307 BFGS: 92 13:31:02 -35.345217 0.1510 BFGS: 93 13:31:02 -35.346120 0.1653 BFGS: 94 13:31:02 -35.347394 0.1572 BFGS: 95 13:31:02 -35.348288 0.1396 BFGS: 96 13:31:02 -35.349062 0.1189 BFGS: 97 13:31:02 -35.349767 0.0967 BFGS: 98 13:31:02 -35.350421 0.0781 BFGS: 99 13:31:02 -35.351035 0.0604 BFGS: 100 13:31:02 -35.351617 0.0429 BFGS: 101 13:31:02 -35.352175 0.0278 BFGS: 102 13:31:02 -35.352721 0.0452 BFGS: 103 13:31:02 -35.353270 0.0720 BFGS: 104 13:31:02 -35.353843 0.1030 BFGS: 105 13:31:02 -35.354471 0.1378 BFGS: 106 13:31:02 -35.355200 0.1768 BFGS: 107 13:31:02 -35.356097 0.2212 BFGS: 108 13:31:02 -35.357274 0.2731 BFGS: 109 13:31:02 -35.358951 0.3379 BFGS: 110 13:31:02 -35.361739 0.4374 BFGS: 111 13:31:02 -35.364972 0.4972 BFGS: 112 13:31:02 -35.368009 0.4788 BFGS: 113 13:31:02 -35.370790 0.4262 BFGS: 114 13:31:02 -35.373620 0.3487 BFGS: 115 13:31:02 -35.376296 0.2541 BFGS: 116 13:31:02 -35.378740 0.1531 BFGS: 117 13:31:02 -35.380302 0.0737 BFGS: 118 13:31:02 -35.380778 0.1482 BFGS: 119 13:31:02 -35.381433 0.0197 BFGS: 120 13:31:02 -35.381717 0.0481 BFGS: 121 13:31:02 -35.381917 0.0477 BFGS: 122 13:31:02 -35.382004 0.0454 BFGS: 123 13:31:02 -35.382048 0.0355 BFGS: 124 13:31:02 -35.382156 0.0150 BFGS: 125 13:31:02 -35.382261 0.0449 BFGS: 126 13:31:02 -35.382503 0.0961 BFGS: 127 13:31:02 -35.382994 0.1579 BFGS: 128 13:31:02 -35.384095 0.2295 BFGS: 129 13:31:02 -35.386183 0.2711 BFGS: 130 13:31:02 -35.387788 0.2719 BFGS: 131 13:31:02 -35.389105 0.0955 BFGS: 132 13:31:02 -35.389590 0.0715 BFGS: 133 13:31:02 -35.389692 0.0569 BFGS: 134 13:31:02 -35.389723 0.0615 BFGS: 135 13:31:02 -35.389768 0.0525 BFGS: 136 13:31:02 -35.389799 0.0391 BFGS: 137 13:31:02 -35.389815 0.0308 BFGS: 138 13:31:02 -35.389830 0.0263 BFGS: 139 13:31:02 -35.389869 0.0205 BFGS: 140 13:31:02 -35.389958 0.0225 BFGS: 141 13:31:02 -35.390174 0.0441 BFGS: 142 13:31:02 -35.390668 0.0632 BFGS: 143 13:31:02 -35.391339 0.0602 BFGS: 144 13:31:02 -35.391985 0.1104 BFGS: 145 13:31:02 -35.392476 0.1332 BFGS: 146 13:31:02 -35.392911 0.0738 BFGS: 147 13:31:03 -35.392995 0.0726 BFGS: 148 13:31:03 -35.393037 0.0496 BFGS: 149 13:31:03 -35.393070 0.0417 BFGS: 150 13:31:03 -35.393102 0.0488 BFGS: 151 13:31:03 -35.393117 0.0387 BFGS: 152 13:31:03 -35.393130 0.0356 BFGS: 153 13:31:03 -35.393136 0.0308 BFGS: 154 13:31:03 -35.393138 0.0322 BFGS: 155 13:31:03 -35.393146 0.0341 BFGS: 156 13:31:03 -35.393163 0.0375 BFGS: 157 13:31:03 -35.393206 0.0416 BFGS: 158 13:31:03 -35.393302 0.0469 BFGS: 159 13:31:03 -35.393490 0.0471 BFGS: 160 13:31:03 -35.393704 0.0432 BFGS: 161 13:31:03 -35.393939 0.0490 BFGS: 162 13:31:03 -35.394139 0.0298 BFGS: 163 13:31:03 -35.394193 0.0478 BFGS: 164 13:31:03 -35.394215 0.0204 BFGS: 165 13:31:03 -35.394219 0.0237 BFGS: 166 13:31:03 -35.394220 0.0249 BFGS: 167 13:31:03 -35.394221 0.0244 BFGS: 168 13:31:03 -35.394221 0.0233 BFGS: 169 13:31:03 -35.394222 0.0221 BFGS: 170 13:31:03 -35.394224 0.0199 BFGS: 171 13:31:03 -35.394228 0.0167 BFGS: 172 13:31:03 -35.394240 0.0123 BFGS: 173 13:31:03 -35.394266 0.0114 BFGS: 174 13:31:03 -35.394322 0.0147 BFGS: 175 13:31:03 -35.394419 0.0129 BFGS: 176 13:31:03 -35.394499 0.0271 BFGS: 177 13:31:03 -35.394518 0.0216 BFGS: 178 13:31:03 -35.394522 0.0230 BFGS: 179 13:31:03 -35.394522 0.0221 BFGS: 180 13:31:03 -35.394522 0.0227 BFGS: 181 13:31:03 -35.394523 0.0235 BFGS: 182 13:31:03 -35.394523 0.0246 BFGS: 183 13:31:03 -35.394523 0.0262 BFGS: 184 13:31:03 -35.394524 0.0286 BFGS: 185 13:31:03 -35.394527 0.0325 BFGS: 186 13:31:03 -35.394534 0.0386 BFGS: 187 13:31:03 -35.394552 0.0480 BFGS: 188 13:31:03 -35.394596 0.0600 BFGS: 189 13:31:03 -35.394681 0.0684 BFGS: 190 13:31:03 -35.394790 0.0623 BFGS: 191 13:31:03 -35.394875 0.0432 BFGS: 192 13:31:03 -35.394905 0.0164 BFGS: 193 13:31:03 -35.394900 0.0462 BFGS: 194 13:31:03 -35.394919 0.0189 BFGS: 195 13:31:03 -35.394924 0.0171 BFGS: 196 13:31:03 -35.394932 0.0203 BFGS: 197 13:31:03 -35.394933 0.0183 BFGS: 198 13:31:03 -35.394934 0.0181 BFGS: 199 13:31:03 -35.394935 0.0176 BFGS: 200 13:31:03 -35.394938 0.0166 BFGS: 201 13:31:03 -35.394945 0.0153 BFGS: 202 13:31:03 -35.394963 0.0140 BFGS: 203 13:31:03 -35.395014 0.0136 BFGS: 204 13:31:03 -35.395103 0.0152 BFGS: 205 13:31:03 -35.395207 0.0452 BFGS: 206 13:31:03 -35.395305 0.0222 BFGS: 207 13:31:03 -35.395355 0.0296 BFGS: 208 13:31:03 -35.395405 0.0450 BFGS: 209 13:31:03 -35.395442 0.0389 BFGS: 210 13:31:03 -35.395502 0.0200 BFGS: 211 13:31:03 -35.395535 0.0149 BFGS: 212 13:31:03 -35.395556 0.0187 BFGS: 213 13:31:03 -35.395562 0.0184 BFGS: 214 13:31:03 -35.395570 0.0179 BFGS: 215 13:31:03 -35.395578 0.0155 BFGS: 216 13:31:03 -35.395588 0.0140 BFGS: 217 13:31:03 -35.395599 0.0171 BFGS: 218 13:31:03 -35.395620 0.0262 BFGS: 219 13:31:03 -35.395650 0.0252 BFGS: 220 13:31:03 -35.395672 0.0197 BFGS: 221 13:31:03 -35.395681 0.0233 BFGS: 222 13:31:03 -35.395687 0.0161 BFGS: 223 13:31:04 -35.395690 0.0191 BFGS: 224 13:31:04 -35.395692 0.0169 BFGS: 225 13:31:04 -35.395694 0.0163 BFGS: 226 13:31:04 -35.395695 0.0156 BFGS: 227 13:31:04 -35.395695 0.0149 BFGS: 228 13:31:04 -35.395695 0.0143 BFGS: 229 13:31:04 -35.395696 0.0131 BFGS: 230 13:31:04 -35.395698 0.0114 BFGS: 231 13:31:04 -35.395704 0.0080 BFGS: 232 13:31:04 -35.395715 0.0142 BFGS: 233 13:31:04 -35.395748 0.0065 BFGS: 234 13:31:04 -35.395794 0.0322 BFGS: 235 13:31:04 -35.395984 0.0160 BFGS: 236 13:31:04 -35.396197 0.0225 BFGS: 237 13:31:04 -35.396293 0.0404 BFGS: 238 13:31:04 -35.396453 0.0571 BFGS: 239 13:31:04 -35.396599 0.0302 BFGS: 240 13:31:04 -35.396703 0.0523 BFGS: 241 13:31:04 -35.396800 0.0532 BFGS: 242 13:31:04 -35.396895 0.0929 BFGS: 243 13:31:04 -35.397021 0.0820 BFGS: 244 13:31:04 -35.397146 0.0394 BFGS: 245 13:31:04 -35.397332 0.0388 BFGS: 246 13:31:04 -35.397405 0.0314 BFGS: 247 13:31:04 -35.397461 0.0676 BFGS: 248 13:31:04 -35.397525 0.0247 BFGS: 249 13:31:04 -35.397586 0.0189 BFGS: 250 13:31:04 -35.397693 0.0308 BFGS: 251 13:31:04 -35.397779 0.0522 BFGS: 252 13:31:04 -35.397911 0.0260 BFGS: 253 13:31:04 -35.398007 0.0462 BFGS: 254 13:31:04 -35.398167 0.0204 BFGS: 255 13:31:04 -35.398156 0.0930 BFGS: 256 13:31:04 -35.398288 0.0514 BFGS: 257 13:31:04 -35.398363 0.0202 BFGS: 258 13:31:04 -35.398481 0.0390 BFGS: 259 13:31:04 -35.398568 0.0919 BFGS: 260 13:31:04 -35.398729 0.0592 BFGS: 261 13:31:04 -35.398931 0.0451 BFGS: 262 13:31:04 -35.399083 0.0790 BFGS: 263 13:31:04 -35.399317 0.0357 BFGS: 264 13:31:04 -35.399389 0.0850 BFGS: 265 13:31:04 -35.399550 0.0268 BFGS: 266 13:31:04 -35.399653 0.0398 BFGS: 267 13:31:04 -35.399716 0.0344 BFGS: 268 13:31:04 -35.399779 0.0211 BFGS: 269 13:31:04 -35.399784 0.0502 BFGS: 270 13:31:04 -35.399811 0.0286 BFGS: 271 13:31:04 -35.399833 0.0198 BFGS: 272 13:31:04 -35.399851 0.0166 BFGS: 273 13:31:04 -35.399881 0.0280 BFGS: 274 13:31:04 -35.399937 0.0393 BFGS: 275 13:31:04 -35.400005 0.0353 BFGS: 276 13:31:04 -35.400102 0.0481 BFGS: 277 13:31:04 -35.400157 0.0580 BFGS: 278 13:31:04 -35.400325 0.0375 BFGS: 279 13:31:04 -35.400415 0.0386 BFGS: 280 13:31:04 -35.400473 0.0565 BFGS: 281 13:31:04 -35.400559 0.0409 BFGS: 282 13:31:04 -35.400645 0.0407 BFGS: 283 13:31:04 -35.400752 0.0298 BFGS: 284 13:31:04 -35.400832 0.0361 BFGS: 285 13:31:04 -35.400942 0.0127 BFGS: 286 13:31:04 -35.401012 0.0321 BFGS: 287 13:31:04 -35.401083 0.0474 BFGS: 288 13:31:04 -35.401210 0.0390 BFGS: 289 13:31:04 -35.401283 0.0282 BFGS: 290 13:31:04 -35.401356 0.0224 BFGS: 291 13:31:04 -35.401409 0.0426 BFGS: 292 13:31:04 -35.401442 0.0512 BFGS: 293 13:31:04 -35.401532 0.0277 BFGS: 294 13:31:04 -35.401586 0.0261 BFGS: 295 13:31:04 -35.401645 0.0093 BFGS: 296 13:31:04 -35.401665 0.0244 BFGS: 297 13:31:05 -35.401696 0.0205 BFGS: 298 13:31:05 -35.401727 0.0156 BFGS: 299 13:31:05 -35.401744 0.0130 BFGS: 300 13:31:05 -35.401745 0.0283 BFGS: 301 13:31:05 -35.401757 0.0036 BFGS: 302 13:31:05 -35.401761 0.0038 BFGS: 303 13:31:05 -35.401766 0.0108 BFGS: 304 13:31:05 -35.401767 0.0055 BFGS: 305 13:31:05 -35.401768 0.0023 BFGS: 306 13:31:05 -35.401769 0.0030 BFGS: 307 13:31:05 -35.401769 0.0032 BFGS: 308 13:31:05 -35.401770 0.0046 BFGS: 309 13:31:05 -35.401770 0.0058 BFGS: 310 13:31:05 -35.401772 0.0077 BFGS: 311 13:31:05 -35.401776 0.0098 BFGS: 312 13:31:05 -35.401784 0.0138 BFGS: 313 13:31:05 -35.401777 0.0273 BFGS: 314 13:31:05 -35.401805 0.0181 BFGS: 315 13:31:05 -35.401817 0.0127 BFGS: 316 13:31:05 -35.401805 0.0228 BFGS: 317 13:31:05 -35.401827 0.0102 BFGS: 318 13:31:05 -35.401831 0.0053 BFGS: 319 13:31:05 -35.401833 0.0046 BFGS: 320 13:31:05 -35.401835 0.0039 BFGS: 321 13:31:05 -35.401836 0.0036 BFGS: 322 13:31:05 -35.401837 0.0025 BFGS: 323 13:31:05 -35.401837 0.0005 BFGS: 324 13:31:05 -35.401837 0.0003 BFGS: 325 13:31:05 -35.401837 0.0001 BFGS: 326 13:31:05 -35.401837 0.0001 BFGS: 327 13:31:05 -35.401837 0.0000 BFGS: 328 13:31:05 -35.401837 0.0000 BFGS: 329 13:31:05 -35.401837 0.0000 BFGS: 330 13:31:05 -35.401837 0.0000 BFGS: 331 13:31:05 -35.401837 0.0000 BFGS: 332 13:31:05 -35.401837 0.0000 Minimization converged after 332 steps. Maximum force component: 6.2780133100694575e-09 eV/Angstrom Maximum stress component: 8.137742319805837e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.72798014 0.02642617 0.05676692] [0.27201986 0.52642617 0.44323308] [0.27201986 0.97357383 0.94323308] [0.72798014 0.47357383 0.55676692] [0.81362393 0.89505579 0.89143648] [0.18637607 0.39505579 0.60856352] [0.18637607 0.10494421 0.10856352] [0.81362393 0.60494421 0.39143648] [0.69235124 0.26249245 0.04001398] [0.30764876 0.76249245 0.45998602] [0.30764876 0.73750755 0.95998602] [0.69235124 0.23750755 0.54001398]] cellpar = Cell([[7.384938497824884, -4.5150794147565167e-17, 0.8844638904999568], [6.169709063608538e-17, 5.344465394613823, -3.8124145278777906e-17], [2.5949433312692025, -5.79307485305287e-17, 7.010720475414396]]) forces = [[ 5.86275922e-10 -2.40721750e-09 -6.27801331e-09] [-5.86275922e-10 -2.40721750e-09 6.27801331e-09] [-5.86275922e-10 2.40721750e-09 6.27801331e-09] [ 5.86275922e-10 2.40721750e-09 -6.27801331e-09] [-2.54043462e-11 -5.42175673e-10 4.02709277e-09] [ 2.54043462e-11 -5.42175673e-10 -4.02709277e-09] [ 2.54043462e-11 5.42175673e-10 -4.02709277e-09] [-2.54043462e-11 5.42175673e-10 4.02709277e-09] [-5.91535163e-10 2.95281884e-09 2.46214780e-09] [ 5.91535163e-10 2.95281884e-09 -2.46214780e-09] [ 5.91535163e-10 -2.95281884e-09 -2.46214780e-09] [-5.91535163e-10 -2.95281884e-09 2.46214780e-09]] stress = [ 4.70458234e-12 -3.98696551e-11 8.13774232e-11 -1.71892521e-29 -1.62127069e-11 -2.37420568e-28] energy per atom = -2.86313118003895 =============================================== Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0