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 15:26:54 -27.752509 8.377390 BFGS: 1 15:26:54 -30.853128 3.449535 BFGS: 2 15:26:54 -31.637885 0.782725 BFGS: 3 15:26:54 -31.699512 0.684805 BFGS: 4 15:26:54 -32.024604 0.810818 BFGS: 5 15:26:54 -32.287516 0.664539 BFGS: 6 15:26:54 -32.524152 0.911242 BFGS: 7 15:26:54 -32.765381 1.544413 BFGS: 8 15:26:54 -32.989914 2.284378 BFGS: 9 15:26:54 -33.171800 3.019373 BFGS: 10 15:26:54 -33.310277 3.697504 BFGS: 11 15:26:54 -33.435825 4.231692 BFGS: 12 15:26:54 -33.552177 4.594872 BFGS: 13 15:26:54 -33.659306 4.750463 BFGS: 14 15:26:54 -33.773929 4.676161 BFGS: 15 15:26:54 -33.897438 4.340866 BFGS: 16 15:26:54 -34.027973 4.238173 BFGS: 17 15:26:54 -34.156363 4.049074 BFGS: 18 15:26:54 -34.278715 3.717353 BFGS: 19 15:26:54 -34.380287 3.321547 BFGS: 20 15:26:54 -34.483014 2.847818 BFGS: 21 15:26:54 -34.583995 2.287636 BFGS: 22 15:26:54 -34.675040 1.677981 BFGS: 23 15:26:54 -34.750259 1.041680 BFGS: 24 15:26:54 -34.807646 0.470980 BFGS: 25 15:26:54 -34.845615 0.697582 BFGS: 26 15:26:54 -34.868375 0.998286 BFGS: 27 15:26:54 -34.883023 1.185401 BFGS: 28 15:26:54 -34.910236 1.453938 BFGS: 29 15:26:54 -34.941068 1.614495 BFGS: 30 15:26:54 -34.987651 1.586272 BFGS: 31 15:26:54 -35.050054 1.349298 BFGS: 32 15:26:54 -35.114625 0.955720 BFGS: 33 15:26:54 -35.169118 0.464568 BFGS: 34 15:26:54 -35.206656 0.265922 BFGS: 35 15:26:55 -35.224983 0.745983 BFGS: 36 15:26:55 -35.238256 0.810995 BFGS: 37 15:26:55 -35.263086 0.715129 BFGS: 38 15:26:55 -35.282771 0.579914 BFGS: 39 15:26:55 -35.297465 0.475697 BFGS: 40 15:26:55 -35.308897 0.396712 BFGS: 41 15:26:55 -35.318138 0.336891 BFGS: 42 15:26:55 -35.325913 0.287164 BFGS: 43 15:26:55 -35.332610 0.248643 BFGS: 44 15:26:55 -35.338546 0.213141 BFGS: 45 15:26:55 -35.343822 0.188894 BFGS: 46 15:26:55 -35.348633 0.156903 BFGS: 47 15:26:55 -35.351792 0.158276 BFGS: 48 15:26:55 -35.355609 0.120569 BFGS: 49 15:26:55 -35.359020 0.131910 BFGS: 50 15:26:55 -35.362273 0.063748 BFGS: 51 15:26:55 -35.364702 0.101520 BFGS: 52 15:26:55 -35.366947 0.073065 BFGS: 53 15:26:55 -35.368719 0.067113 BFGS: 54 15:26:55 -35.370102 0.048188 BFGS: 55 15:26:55 -35.371127 0.034551 BFGS: 56 15:26:55 -35.371821 0.026063 BFGS: 57 15:26:55 -35.372184 0.026269 BFGS: 58 15:26:55 -35.372393 0.025230 BFGS: 59 15:26:55 -35.372752 0.029708 BFGS: 60 15:26:55 -35.373019 0.035796 BFGS: 61 15:26:55 -35.373154 0.033468 BFGS: 62 15:26:55 -35.373220 0.038015 BFGS: 63 15:26:55 -35.373280 0.039489 BFGS: 64 15:26:55 -35.373449 0.045846 BFGS: 65 15:26:55 -35.373864 0.059968 BFGS: 66 15:26:55 -35.374796 0.095055 BFGS: 67 15:26:55 -35.376368 0.171542 BFGS: 68 15:26:55 -35.378414 0.220712 BFGS: 69 15:26:55 -35.380423 0.149802 BFGS: 70 15:26:55 -35.381836 0.097964 BFGS: 71 15:26:55 -35.382128 0.019608 BFGS: 72 15:26:55 -35.382368 0.069216 BFGS: 73 15:26:55 -35.382495 0.043676 BFGS: 74 15:26:55 -35.382548 0.026250 BFGS: 75 15:26:55 -35.382556 0.032944 BFGS: 76 15:26:55 -35.382568 0.024541 BFGS: 77 15:26:55 -35.382576 0.020766 BFGS: 78 15:26:55 -35.382605 0.028887 BFGS: 79 15:26:55 -35.382655 0.044345 BFGS: 80 15:26:55 -35.382784 0.074810 BFGS: 81 15:26:55 -35.383086 0.116909 BFGS: 82 15:26:55 -35.383795 0.168187 BFGS: 83 15:26:55 -35.384641 0.200276 BFGS: 84 15:26:55 -35.385703 0.229338 BFGS: 85 15:26:55 -35.387314 0.226974 BFGS: 86 15:26:55 -35.388529 0.090714 BFGS: 87 15:26:55 -35.389048 0.110776 BFGS: 88 15:26:55 -35.389216 0.087972 BFGS: 89 15:26:55 -35.389447 0.079372 BFGS: 90 15:26:55 -35.389758 0.072363 BFGS: 91 15:26:55 -35.389540 0.154594 BFGS: 92 15:26:55 -35.390035 0.026707 BFGS: 93 15:26:56 -35.390123 0.054918 BFGS: 94 15:26:56 -35.390203 0.034480 BFGS: 95 15:26:56 -35.390228 0.021425 BFGS: 96 15:26:56 -35.390236 0.019538 BFGS: 97 15:26:56 -35.390245 0.016245 BFGS: 98 15:26:56 -35.390259 0.013572 BFGS: 99 15:26:56 -35.390290 0.017718 BFGS: 100 15:26:56 -35.390347 0.016780 BFGS: 101 15:26:56 -35.390447 0.034868 BFGS: 102 15:26:56 -35.390609 0.027477 BFGS: 103 15:26:56 -35.390940 0.058638 BFGS: 104 15:26:56 -35.391397 0.039286 BFGS: 105 15:26:56 -35.391567 0.076597 BFGS: 106 15:26:56 -35.391731 0.037009 BFGS: 107 15:26:56 -35.391764 0.021481 BFGS: 108 15:26:56 -35.391773 0.025525 BFGS: 109 15:26:56 -35.391782 0.019768 BFGS: 110 15:26:56 -35.391793 0.017477 BFGS: 111 15:26:56 -35.391799 0.012064 BFGS: 112 15:26:56 -35.391802 0.013118 BFGS: 113 15:26:56 -35.391805 0.015081 BFGS: 114 15:26:56 -35.391813 0.020260 BFGS: 115 15:26:56 -35.391832 0.028998 BFGS: 116 15:26:56 -35.391878 0.044036 BFGS: 117 15:26:56 -35.391995 0.068820 BFGS: 118 15:26:56 -35.392285 0.093939 BFGS: 119 15:26:56 -35.392699 0.071851 BFGS: 120 15:26:56 -35.392901 0.052286 BFGS: 121 15:26:56 -35.392953 0.021489 BFGS: 122 15:26:56 -35.393003 0.031612 BFGS: 123 15:26:56 -35.393026 0.024122 BFGS: 124 15:26:56 -35.393042 0.020592 BFGS: 125 15:26:56 -35.393055 0.014704 BFGS: 126 15:26:56 -35.393063 0.013475 BFGS: 127 15:26:56 -35.393065 0.009065 BFGS: 128 15:26:56 -35.393066 0.012082 BFGS: 129 15:26:56 -35.393067 0.012019 BFGS: 130 15:26:56 -35.393078 0.012675 BFGS: 131 15:26:56 -35.393099 0.016004 BFGS: 132 15:26:56 -35.393144 0.020984 BFGS: 133 15:26:56 -35.393242 0.025259 BFGS: 134 15:26:56 -35.393444 0.040439 BFGS: 135 15:26:56 -35.393669 0.057024 BFGS: 136 15:26:56 -35.393891 0.056992 BFGS: 137 15:26:56 -35.394120 0.050014 BFGS: 138 15:26:56 -35.394334 0.021413 BFGS: 139 15:26:56 -35.394472 0.028179 BFGS: 140 15:26:56 -35.394524 0.061951 BFGS: 141 15:26:56 -35.394560 0.029015 BFGS: 142 15:26:56 -35.394582 0.024997 BFGS: 143 15:26:56 -35.394608 0.045290 BFGS: 144 15:26:56 -35.394628 0.025073 BFGS: 145 15:26:56 -35.394642 0.012028 BFGS: 146 15:26:56 -35.394656 0.021036 BFGS: 147 15:26:56 -35.394669 0.021436 BFGS: 148 15:26:56 -35.394679 0.014639 BFGS: 149 15:26:56 -35.394684 0.009895 BFGS: 150 15:26:56 -35.394685 0.009293 BFGS: 151 15:26:56 -35.394686 0.007415 BFGS: 152 15:26:56 -35.394686 0.008367 BFGS: 153 15:26:57 -35.394687 0.009339 BFGS: 154 15:26:57 -35.394687 0.009685 BFGS: 155 15:26:57 -35.394687 0.009736 BFGS: 156 15:26:57 -35.394687 0.009883 BFGS: 157 15:26:57 -35.394687 0.010054 BFGS: 158 15:26:57 -35.394687 0.010217 BFGS: 159 15:26:57 -35.394687 0.010481 BFGS: 160 15:26:57 -35.394688 0.010922 BFGS: 161 15:26:57 -35.394690 0.011705 BFGS: 162 15:26:57 -35.394696 0.013154 BFGS: 163 15:26:57 -35.394709 0.016109 BFGS: 164 15:26:57 -35.394736 0.021890 BFGS: 165 15:26:57 -35.394785 0.022809 BFGS: 166 15:26:57 -35.394847 0.033949 BFGS: 167 15:26:57 -35.394891 0.031257 BFGS: 168 15:26:57 -35.394944 0.031694 BFGS: 169 15:26:57 -35.394962 0.012426 BFGS: 170 15:26:57 -35.394972 0.020332 BFGS: 171 15:26:57 -35.394978 0.012594 BFGS: 172 15:26:57 -35.394979 0.011002 BFGS: 173 15:26:57 -35.394980 0.009812 BFGS: 174 15:26:57 -35.394980 0.009633 BFGS: 175 15:26:57 -35.394980 0.009331 BFGS: 176 15:26:57 -35.394980 0.008916 BFGS: 177 15:26:57 -35.394981 0.008671 BFGS: 178 15:26:57 -35.394981 0.008079 BFGS: 179 15:26:57 -35.394981 0.008397 BFGS: 180 15:26:57 -35.394982 0.008175 BFGS: 181 15:26:57 -35.394982 0.008906 BFGS: 182 15:26:57 -35.394983 0.010732 BFGS: 183 15:26:57 -35.394985 0.012787 BFGS: 184 15:26:57 -35.394990 0.017104 BFGS: 185 15:26:57 -35.395003 0.023969 BFGS: 186 15:26:57 -35.395024 0.027311 BFGS: 187 15:26:57 -35.395039 0.020018 BFGS: 188 15:26:57 -35.395044 0.012771 BFGS: 189 15:26:57 -35.395046 0.010303 BFGS: 190 15:26:57 -35.395046 0.009707 BFGS: 191 15:26:57 -35.395046 0.008971 BFGS: 192 15:26:57 -35.395046 0.009003 BFGS: 193 15:26:57 -35.395046 0.008962 BFGS: 194 15:26:57 -35.395046 0.008927 BFGS: 195 15:26:57 -35.395046 0.008899 BFGS: 196 15:26:57 -35.395046 0.008872 BFGS: 197 15:26:57 -35.395046 0.009219 BFGS: 198 15:26:57 -35.395047 0.009978 BFGS: 199 15:26:57 -35.395048 0.011147 BFGS: 200 15:26:57 -35.395050 0.012921 BFGS: 201 15:26:57 -35.395058 0.015500 BFGS: 202 15:26:57 -35.395071 0.017876 BFGS: 203 15:26:57 -35.395085 0.019463 BFGS: 204 15:26:57 -35.395102 0.020033 BFGS: 205 15:26:57 -35.395118 0.020613 BFGS: 206 15:26:57 -35.395137 0.019446 BFGS: 207 15:26:57 -35.395155 0.019423 BFGS: 208 15:26:57 -35.395175 0.017481 BFGS: 209 15:26:57 -35.395194 0.018337 BFGS: 210 15:26:58 -35.395214 0.017592 BFGS: 211 15:26:58 -35.395233 0.017669 BFGS: 212 15:26:58 -35.395252 0.017997 BFGS: 213 15:26:58 -35.395271 0.017185 BFGS: 214 15:26:58 -35.395290 0.018540 BFGS: 215 15:26:58 -35.395308 0.017090 BFGS: 216 15:26:58 -35.395326 0.017709 BFGS: 217 15:26:58 -35.395344 0.017033 BFGS: 218 15:26:58 -35.395362 0.017063 BFGS: 219 15:26:58 -35.395381 0.016454 BFGS: 220 15:26:58 -35.395400 0.016290 BFGS: 221 15:26:58 -35.395419 0.015337 BFGS: 222 15:26:58 -35.395439 0.014990 BFGS: 223 15:26:58 -35.395459 0.013487 BFGS: 224 15:26:58 -35.395479 0.012867 BFGS: 225 15:26:58 -35.395501 0.011376 BFGS: 226 15:26:58 -35.395521 0.012098 BFGS: 227 15:26:58 -35.395542 0.014526 BFGS: 228 15:26:58 -35.395560 0.020605 BFGS: 229 15:26:58 -35.395576 0.029196 BFGS: 230 15:26:58 -35.395588 0.036938 BFGS: 231 15:26:58 -35.395601 0.036788 BFGS: 232 15:26:58 -35.395620 0.026501 BFGS: 233 15:26:58 -35.395635 0.016936 BFGS: 234 15:26:58 -35.395646 0.026641 BFGS: 235 15:26:58 -35.395661 0.009830 BFGS: 236 15:26:58 -35.395665 0.016595 BFGS: 237 15:26:58 -35.395669 0.009219 BFGS: 238 15:26:58 -35.395669 0.010036 BFGS: 239 15:26:58 -35.395670 0.008491 BFGS: 240 15:26:58 -35.395670 0.008698 BFGS: 241 15:26:58 -35.395670 0.008718 BFGS: 242 15:26:58 -35.395670 0.008615 BFGS: 243 15:26:58 -35.395670 0.008429 BFGS: 244 15:26:58 -35.395670 0.008312 BFGS: 245 15:26:58 -35.395670 0.008313 BFGS: 246 15:26:58 -35.395670 0.008349 BFGS: 247 15:26:58 -35.395670 0.008384 BFGS: 248 15:26:58 -35.395670 0.008427 BFGS: 249 15:26:58 -35.395670 0.008447 BFGS: 250 15:26:58 -35.395670 0.008455 BFGS: 251 15:26:58 -35.395670 0.008457 BFGS: 252 15:26:58 -35.395670 0.008458 BFGS: 253 15:26:58 -35.395670 0.008458 BFGS: 254 15:26:58 -35.395670 0.008458 BFGS: 255 15:26:58 -35.395670 0.008458 BFGS: 256 15:26:58 -35.395670 0.008457 BFGS: 257 15:26:58 -35.395670 0.008457 BFGS: 258 15:26:58 -35.395670 0.008456 BFGS: 259 15:26:58 -35.395670 0.008455 BFGS: 260 15:26:58 -35.395670 0.008453 BFGS: 261 15:26:58 -35.395670 0.008450 BFGS: 262 15:26:58 -35.395670 0.008445 BFGS: 263 15:26:58 -35.395670 0.008441 BFGS: 264 15:26:58 -35.395670 0.008438 BFGS: 265 15:26:58 -35.395670 0.008450 BFGS: 266 15:26:59 -35.395670 0.008500 BFGS: 267 15:26:59 -35.395670 0.008674 BFGS: 268 15:26:59 -35.395671 0.009169 BFGS: 269 15:26:59 -35.395673 0.010415 BFGS: 270 15:26:59 -35.395678 0.013128 BFGS: 271 15:26:59 -35.395691 0.017997 BFGS: 272 15:26:59 -35.395727 0.023331 BFGS: 273 15:26:59 -35.395788 0.018578 BFGS: 274 15:26:59 -35.395881 0.014617 BFGS: 275 15:26:59 -35.396039 0.022635 BFGS: 276 15:26:59 -35.396225 0.053517 BFGS: 277 15:26:59 -35.396477 0.028304 BFGS: 278 15:26:59 -35.396656 0.058475 BFGS: 279 15:26:59 -35.396913 0.053268 BFGS: 280 15:26:59 -35.397229 0.053287 BFGS: 281 15:26:59 -35.397964 0.159378 BFGS: 282 15:26:59 -35.398265 0.107264 BFGS: 283 15:26:59 -35.398342 0.088288 BFGS: 284 15:26:59 -35.398463 0.068148 BFGS: 285 15:26:59 -35.398679 0.032755 BFGS: 286 15:26:59 -35.398717 0.022871 BFGS: 287 15:26:59 -35.398751 0.023583 BFGS: 288 15:26:59 -35.398803 0.018402 BFGS: 289 15:26:59 -35.398832 0.021916 BFGS: 290 15:26:59 -35.398875 0.019876 BFGS: 291 15:26:59 -35.398904 0.022706 BFGS: 292 15:26:59 -35.398942 0.022770 BFGS: 293 15:26:59 -35.398976 0.024643 BFGS: 294 15:26:59 -35.399017 0.025010 BFGS: 295 15:26:59 -35.399055 0.026540 BFGS: 296 15:26:59 -35.399104 0.026590 BFGS: 297 15:26:59 -35.399147 0.028163 BFGS: 298 15:26:59 -35.399208 0.027687 BFGS: 299 15:26:59 -35.399257 0.029402 BFGS: 300 15:26:59 -35.399332 0.028601 BFGS: 301 15:26:59 -35.399396 0.029913 BFGS: 302 15:26:59 -35.399497 0.029175 BFGS: 303 15:26:59 -35.399593 0.030529 BFGS: 304 15:26:59 -35.399785 0.041827 BFGS: 305 15:26:59 -35.399912 0.021235 BFGS: 306 15:26:59 -35.399976 0.042904 BFGS: 307 15:26:59 -35.400026 0.042076 BFGS: 308 15:26:59 -35.400083 0.039634 BFGS: 309 15:26:59 -35.400137 0.031522 BFGS: 310 15:26:59 -35.400181 0.034327 BFGS: 311 15:26:59 -35.400230 0.028982 BFGS: 312 15:26:59 -35.400273 0.030469 BFGS: 313 15:26:59 -35.400321 0.026480 BFGS: 314 15:26:59 -35.400365 0.028234 BFGS: 315 15:26:59 -35.400416 0.024733 BFGS: 316 15:26:59 -35.400464 0.026802 BFGS: 317 15:26:59 -35.400522 0.023141 BFGS: 318 15:26:59 -35.400576 0.026769 BFGS: 319 15:27:00 -35.400647 0.023162 BFGS: 320 15:27:00 -35.400707 0.028529 BFGS: 321 15:27:00 -35.400797 0.027309 BFGS: 322 15:27:00 -35.400880 0.027641 BFGS: 323 15:27:00 -35.400983 0.047323 BFGS: 324 15:27:00 -35.401205 0.038894 BFGS: 325 15:27:00 -35.401299 0.029109 BFGS: 326 15:27:00 -35.401217 0.104961 BFGS: 327 15:27:00 -35.401429 0.030434 BFGS: 328 15:27:00 -35.401485 0.038635 BFGS: 329 15:27:00 -35.401565 0.019382 BFGS: 330 15:27:00 -35.401608 0.033892 BFGS: 331 15:27:00 -35.401659 0.031723 BFGS: 332 15:27:00 -35.401704 0.017864 BFGS: 333 15:27:00 -35.401743 0.027831 BFGS: 334 15:27:00 -35.401773 0.021220 BFGS: 335 15:27:00 -35.401804 0.016367 BFGS: 336 15:27:00 -35.401799 0.027254 BFGS: 337 15:27:00 -35.401822 0.015647 BFGS: 338 15:27:00 -35.401826 0.003594 BFGS: 339 15:27:00 -35.401829 0.002712 BFGS: 340 15:27:00 -35.401832 0.011503 BFGS: 341 15:27:00 -35.401835 0.002451 BFGS: 342 15:27:00 -35.401835 0.002024 BFGS: 343 15:27:00 -35.401836 0.001181 BFGS: 344 15:27:00 -35.401836 0.000881 BFGS: 345 15:27:00 -35.401836 0.000938 BFGS: 346 15:27:00 -35.401836 0.001084 BFGS: 347 15:27:00 -35.401837 0.000771 BFGS: 348 15:27:00 -35.401837 0.000416 BFGS: 349 15:27:00 -35.401837 0.000411 BFGS: 350 15:27:00 -35.401837 0.000383 BFGS: 351 15:27:00 -35.401837 0.000359 BFGS: 352 15:27:00 -35.401837 0.000329 BFGS: 353 15:27:00 -35.401837 0.000364 BFGS: 354 15:27:00 -35.401837 0.000584 BFGS: 355 15:27:00 -35.401837 0.001510 BFGS: 356 15:27:00 -35.401837 0.001530 BFGS: 357 15:27:00 -35.401837 0.000341 BFGS: 358 15:27:00 -35.401837 0.001895 BFGS: 359 15:27:00 -35.401837 0.000347 BFGS: 360 15:27:00 -35.401837 0.000246 BFGS: 361 15:27:00 -35.401837 0.000900 BFGS: 362 15:27:00 -35.401837 0.001086 BFGS: 363 15:27:00 -35.401837 0.000619 BFGS: 364 15:27:00 -35.401837 0.000895 BFGS: 365 15:27:00 -35.401837 0.000522 BFGS: 366 15:27:00 -35.401837 0.000943 BFGS: 367 15:27:00 -35.401837 0.000189 BFGS: 368 15:27:00 -35.401837 0.000058 BFGS: 369 15:27:00 -35.401837 0.000944 BFGS: 370 15:27:00 -35.401838 0.000056 BFGS: 371 15:27:00 -35.401838 0.000096 BFGS: 372 15:27:00 -35.401837 0.000373 BFGS: 373 15:27:01 -35.401837 0.000068 BFGS: 374 15:27:01 -35.401837 0.000028 BFGS: 375 15:27:01 -35.401837 0.000029 BFGS: 376 15:27:01 -35.401837 0.000005 BFGS: 377 15:27:01 -35.401837 0.000002 BFGS: 378 15:27:01 -35.401837 0.000000 BFGS: 379 15:27:01 -35.401837 0.000000 BFGS: 380 15:27:01 -35.401837 0.000000 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 15:27:02 -27.718480 8.443640 BFGS: 1 15:27:02 -30.795313 3.531963 BFGS: 2 15:27:02 -31.603893 0.828243 BFGS: 3 15:27:02 -31.675207 0.738813 BFGS: 4 15:27:02 -31.994265 0.922136 BFGS: 5 15:27:02 -32.259185 0.819010 BFGS: 6 15:27:02 -32.508498 0.812488 BFGS: 7 15:27:02 -32.757908 1.207213 BFGS: 8 15:27:02 -33.005367 1.836887 BFGS: 9 15:27:02 -33.242527 2.391696 BFGS: 10 15:27:02 -33.462028 2.822113 BFGS: 11 15:27:02 -33.660710 3.123575 BFGS: 12 15:27:02 -33.849070 3.286080 BFGS: 13 15:27:02 -33.990406 3.305491 BFGS: 14 15:27:02 -34.103024 3.160347 BFGS: 15 15:27:02 -34.194229 2.861676 BFGS: 16 15:27:02 -34.276671 2.797282 BFGS: 17 15:27:02 -34.356318 2.801067 BFGS: 18 15:27:02 -34.429364 2.771799 BFGS: 19 15:27:02 -34.491210 2.724842 BFGS: 20 15:27:02 -34.543268 2.800417 BFGS: 21 15:27:02 -34.589857 2.883711 BFGS: 22 15:27:02 -34.633956 2.912808 BFGS: 23 15:27:02 -34.675735 2.900131 BFGS: 24 15:27:02 -34.703175 2.881586 BFGS: 25 15:27:02 -34.742366 2.815731 BFGS: 26 15:27:02 -34.781159 2.734583 BFGS: 27 15:27:02 -34.818668 2.644627 BFGS: 28 15:27:02 -34.854520 2.549116 BFGS: 29 15:27:02 -34.888601 2.449951 BFGS: 30 15:27:02 -34.920893 2.348165 BFGS: 31 15:27:02 -34.951413 2.244426 BFGS: 32 15:27:02 -34.980225 2.139099 BFGS: 33 15:27:02 -35.007393 2.032582 BFGS: 34 15:27:02 -35.032980 1.925133 BFGS: 35 15:27:02 -35.057046 1.817032 BFGS: 36 15:27:02 -35.079647 1.708516 BFGS: 37 15:27:02 -35.100924 1.599764 BFGS: 38 15:27:02 -35.120738 1.491040 BFGS: 39 15:27:02 -35.139230 1.382706 BFGS: 40 15:27:02 -35.156446 1.274968 BFGS: 41 15:27:02 -35.172431 1.168072 BFGS: 42 15:27:03 -35.187227 1.062270 BFGS: 43 15:27:03 -35.200878 0.957837 BFGS: 44 15:27:03 -35.213429 0.855052 BFGS: 45 15:27:03 -35.224922 0.754212 BFGS: 46 15:27:03 -35.235405 0.655625 BFGS: 47 15:27:03 -35.244926 0.559612 BFGS: 48 15:27:03 -35.253535 0.466508 BFGS: 49 15:27:03 -35.261285 0.376658 BFGS: 50 15:27:03 -35.268229 0.290400 BFGS: 51 15:27:03 -35.274423 0.208010 BFGS: 52 15:27:03 -35.278555 0.137077 BFGS: 53 15:27:03 -35.282887 0.142371 BFGS: 54 15:27:03 -35.286996 0.155094 BFGS: 55 15:27:03 -35.290662 0.183895 BFGS: 56 15:27:03 -35.293942 0.199686 BFGS: 57 15:27:03 -35.296943 0.225919 BFGS: 58 15:27:03 -35.299703 0.266562 BFGS: 59 15:27:03 -35.302294 0.296606 BFGS: 60 15:27:03 -35.304745 0.323056 BFGS: 61 15:27:03 -35.307100 0.340286 BFGS: 62 15:27:03 -35.309375 0.353006 BFGS: 63 15:27:03 -35.311564 0.357724 BFGS: 64 15:27:03 -35.313701 0.357216 BFGS: 65 15:27:03 -35.315794 0.349502 BFGS: 66 15:27:03 -35.317833 0.337445 BFGS: 67 15:27:03 -35.319812 0.319332 BFGS: 68 15:27:03 -35.321712 0.297356 BFGS: 69 15:27:03 -35.323524 0.270358 BFGS: 70 15:27:03 -35.325227 0.240166 BFGS: 71 15:27:03 -35.326810 0.205959 BFGS: 72 15:27:03 -35.328255 0.169385 BFGS: 73 15:27:03 -35.329555 0.134903 BFGS: 74 15:27:03 -35.330697 0.100271 BFGS: 75 15:27:03 -35.331681 0.065764 BFGS: 76 15:27:03 -35.332509 0.036918 BFGS: 77 15:27:03 -35.333194 0.040931 BFGS: 78 15:27:03 -35.333762 0.080366 BFGS: 79 15:27:03 -35.334257 0.117495 BFGS: 80 15:27:03 -35.334738 0.147233 BFGS: 81 15:27:03 -35.335274 0.170786 BFGS: 82 15:27:03 -35.335905 0.182956 BFGS: 83 15:27:03 -35.336668 0.188174 BFGS: 84 15:27:03 -35.337548 0.180718 BFGS: 85 15:27:03 -35.338560 0.167697 BFGS: 86 15:27:03 -35.339632 0.141221 BFGS: 87 15:27:03 -35.340778 0.112436 BFGS: 88 15:27:03 -35.341869 0.070734 BFGS: 89 15:27:03 -35.342933 0.040883 BFGS: 90 15:27:03 -35.343834 0.080284 BFGS: 91 15:27:03 -35.344643 0.130714 BFGS: 92 15:27:03 -35.345217 0.150961 BFGS: 93 15:27:03 -35.346120 0.165276 BFGS: 94 15:27:03 -35.347394 0.157180 BFGS: 95 15:27:03 -35.348288 0.139648 BFGS: 96 15:27:03 -35.349062 0.118928 BFGS: 97 15:27:03 -35.349767 0.096678 BFGS: 98 15:27:03 -35.350421 0.078128 BFGS: 99 15:27:03 -35.351035 0.060357 BFGS: 100 15:27:03 -35.351617 0.042937 BFGS: 101 15:27:03 -35.352175 0.027794 BFGS: 102 15:27:03 -35.352721 0.045245 BFGS: 103 15:27:03 -35.353270 0.071983 BFGS: 104 15:27:03 -35.353843 0.103048 BFGS: 105 15:27:03 -35.354471 0.137837 BFGS: 106 15:27:03 -35.355200 0.176840 BFGS: 107 15:27:03 -35.356097 0.221201 BFGS: 108 15:27:03 -35.357274 0.273131 BFGS: 109 15:27:03 -35.358951 0.337896 BFGS: 110 15:27:03 -35.361739 0.437409 BFGS: 111 15:27:03 -35.364972 0.497190 BFGS: 112 15:27:03 -35.368009 0.478774 BFGS: 113 15:27:03 -35.370790 0.426237 BFGS: 114 15:27:03 -35.373620 0.348695 BFGS: 115 15:27:04 -35.376296 0.254115 BFGS: 116 15:27:04 -35.378740 0.153129 BFGS: 117 15:27:04 -35.380302 0.073706 BFGS: 118 15:27:04 -35.380778 0.148182 BFGS: 119 15:27:04 -35.381433 0.019700 BFGS: 120 15:27:04 -35.381717 0.048076 BFGS: 121 15:27:04 -35.381917 0.047692 BFGS: 122 15:27:04 -35.382004 0.045369 BFGS: 123 15:27:04 -35.382048 0.035458 BFGS: 124 15:27:04 -35.382156 0.015035 BFGS: 125 15:27:04 -35.382261 0.044903 BFGS: 126 15:27:04 -35.382503 0.096111 BFGS: 127 15:27:04 -35.382994 0.157857 BFGS: 128 15:27:04 -35.384095 0.229515 BFGS: 129 15:27:04 -35.386183 0.271094 BFGS: 130 15:27:04 -35.387788 0.271902 BFGS: 131 15:27:04 -35.389105 0.095477 BFGS: 132 15:27:04 -35.389590 0.071535 BFGS: 133 15:27:04 -35.389692 0.056860 BFGS: 134 15:27:04 -35.389723 0.061451 BFGS: 135 15:27:04 -35.389768 0.052544 BFGS: 136 15:27:04 -35.389799 0.039103 BFGS: 137 15:27:04 -35.389815 0.030804 BFGS: 138 15:27:04 -35.389830 0.026341 BFGS: 139 15:27:04 -35.389869 0.020532 BFGS: 140 15:27:04 -35.389958 0.022538 BFGS: 141 15:27:04 -35.390174 0.044139 BFGS: 142 15:27:04 -35.390668 0.063213 BFGS: 143 15:27:04 -35.391339 0.060225 BFGS: 144 15:27:04 -35.391985 0.110432 BFGS: 145 15:27:04 -35.392476 0.133185 BFGS: 146 15:27:04 -35.392911 0.073797 BFGS: 147 15:27:04 -35.392995 0.072575 BFGS: 148 15:27:04 -35.393037 0.049605 BFGS: 149 15:27:04 -35.393070 0.041732 BFGS: 150 15:27:04 -35.393102 0.048762 BFGS: 151 15:27:04 -35.393117 0.038720 BFGS: 152 15:27:04 -35.393130 0.035628 BFGS: 153 15:27:04 -35.393136 0.030770 BFGS: 154 15:27:04 -35.393138 0.032195 BFGS: 155 15:27:04 -35.393146 0.034130 BFGS: 156 15:27:04 -35.393163 0.037535 BFGS: 157 15:27:04 -35.393206 0.041594 BFGS: 158 15:27:04 -35.393302 0.046941 BFGS: 159 15:27:04 -35.393490 0.047065 BFGS: 160 15:27:04 -35.393704 0.043232 BFGS: 161 15:27:04 -35.393939 0.049033 BFGS: 162 15:27:04 -35.394139 0.029787 BFGS: 163 15:27:04 -35.394193 0.047809 BFGS: 164 15:27:04 -35.394215 0.020439 BFGS: 165 15:27:04 -35.394219 0.023744 BFGS: 166 15:27:04 -35.394220 0.024854 BFGS: 167 15:27:04 -35.394221 0.024369 BFGS: 168 15:27:04 -35.394221 0.023294 BFGS: 169 15:27:04 -35.394222 0.022062 BFGS: 170 15:27:04 -35.394224 0.019879 BFGS: 171 15:27:04 -35.394228 0.016668 BFGS: 172 15:27:04 -35.394240 0.012321 BFGS: 173 15:27:04 -35.394266 0.011441 BFGS: 174 15:27:04 -35.394322 0.014662 BFGS: 175 15:27:04 -35.394419 0.012873 BFGS: 176 15:27:04 -35.394499 0.027092 BFGS: 177 15:27:04 -35.394518 0.021607 BFGS: 178 15:27:04 -35.394522 0.022982 BFGS: 179 15:27:04 -35.394522 0.022138 BFGS: 180 15:27:04 -35.394522 0.022723 BFGS: 181 15:27:04 -35.394523 0.023549 BFGS: 182 15:27:04 -35.394523 0.024572 BFGS: 183 15:27:04 -35.394523 0.026189 BFGS: 184 15:27:04 -35.394524 0.028594 BFGS: 185 15:27:04 -35.394527 0.032473 BFGS: 186 15:27:04 -35.394534 0.038606 BFGS: 187 15:27:04 -35.394552 0.047978 BFGS: 188 15:27:04 -35.394596 0.060024 BFGS: 189 15:27:04 -35.394681 0.068414 BFGS: 190 15:27:04 -35.394790 0.062268 BFGS: 191 15:27:04 -35.394875 0.043155 BFGS: 192 15:27:04 -35.394905 0.016422 BFGS: 193 15:27:05 -35.394900 0.046228 BFGS: 194 15:27:05 -35.394919 0.018918 BFGS: 195 15:27:05 -35.394924 0.017066 BFGS: 196 15:27:05 -35.394932 0.020259 BFGS: 197 15:27:05 -35.394933 0.018284 BFGS: 198 15:27:05 -35.394934 0.018111 BFGS: 199 15:27:05 -35.394935 0.017577 BFGS: 200 15:27:05 -35.394938 0.016634 BFGS: 201 15:27:05 -35.394945 0.015283 BFGS: 202 15:27:05 -35.394963 0.014029 BFGS: 203 15:27:05 -35.395014 0.013629 BFGS: 204 15:27:05 -35.395103 0.015207 BFGS: 205 15:27:05 -35.395207 0.045227 BFGS: 206 15:27:05 -35.395305 0.022231 BFGS: 207 15:27:05 -35.395355 0.029590 BFGS: 208 15:27:05 -35.395405 0.045041 BFGS: 209 15:27:05 -35.395442 0.038941 BFGS: 210 15:27:05 -35.395502 0.020019 BFGS: 211 15:27:05 -35.395535 0.014927 BFGS: 212 15:27:05 -35.395556 0.018708 BFGS: 213 15:27:05 -35.395562 0.018398 BFGS: 214 15:27:05 -35.395570 0.017866 BFGS: 215 15:27:05 -35.395578 0.015518 BFGS: 216 15:27:05 -35.395588 0.014011 BFGS: 217 15:27:05 -35.395599 0.017053 BFGS: 218 15:27:05 -35.395620 0.026181 BFGS: 219 15:27:05 -35.395650 0.025209 BFGS: 220 15:27:05 -35.395672 0.019656 BFGS: 221 15:27:05 -35.395681 0.023295 BFGS: 222 15:27:05 -35.395687 0.016096 BFGS: 223 15:27:05 -35.395690 0.019097 BFGS: 224 15:27:05 -35.395692 0.016876 BFGS: 225 15:27:05 -35.395694 0.016287 BFGS: 226 15:27:05 -35.395695 0.015619 BFGS: 227 15:27:05 -35.395695 0.014889 BFGS: 228 15:27:05 -35.395695 0.014289 BFGS: 229 15:27:05 -35.395696 0.013079 BFGS: 230 15:27:05 -35.395698 0.011427 BFGS: 231 15:27:05 -35.395704 0.008029 BFGS: 232 15:27:05 -35.395715 0.014250 BFGS: 233 15:27:05 -35.395748 0.006458 BFGS: 234 15:27:05 -35.395794 0.032157 BFGS: 235 15:27:05 -35.395984 0.015999 BFGS: 236 15:27:05 -35.396197 0.022488 BFGS: 237 15:27:05 -35.396293 0.040396 BFGS: 238 15:27:05 -35.396453 0.057057 BFGS: 239 15:27:05 -35.396599 0.030208 BFGS: 240 15:27:05 -35.396703 0.052281 BFGS: 241 15:27:05 -35.396800 0.053167 BFGS: 242 15:27:05 -35.396895 0.092870 BFGS: 243 15:27:05 -35.397021 0.081993 BFGS: 244 15:27:05 -35.397146 0.039417 BFGS: 245 15:27:05 -35.397332 0.038791 BFGS: 246 15:27:05 -35.397405 0.031361 BFGS: 247 15:27:05 -35.397461 0.067631 BFGS: 248 15:27:05 -35.397525 0.024663 BFGS: 249 15:27:05 -35.397586 0.018950 BFGS: 250 15:27:05 -35.397693 0.030835 BFGS: 251 15:27:05 -35.397779 0.052208 BFGS: 252 15:27:05 -35.397911 0.025961 BFGS: 253 15:27:05 -35.398007 0.046194 BFGS: 254 15:27:05 -35.398167 0.020437 BFGS: 255 15:27:05 -35.398156 0.093014 BFGS: 256 15:27:05 -35.398288 0.051370 BFGS: 257 15:27:05 -35.398363 0.020230 BFGS: 258 15:27:05 -35.398481 0.038951 BFGS: 259 15:27:05 -35.398568 0.091852 BFGS: 260 15:27:05 -35.398729 0.059159 BFGS: 261 15:27:05 -35.398931 0.045141 BFGS: 262 15:27:05 -35.399083 0.078992 BFGS: 263 15:27:05 -35.399317 0.035749 BFGS: 264 15:27:05 -35.399389 0.085014 BFGS: 265 15:27:05 -35.399550 0.026806 BFGS: 266 15:27:05 -35.399653 0.039848 BFGS: 267 15:27:05 -35.399716 0.034428 BFGS: 268 15:27:05 -35.399779 0.021125 BFGS: 269 15:27:06 -35.399784 0.050244 BFGS: 270 15:27:06 -35.399811 0.028630 BFGS: 271 15:27:06 -35.399833 0.019800 BFGS: 272 15:27:06 -35.399851 0.016606 BFGS: 273 15:27:06 -35.399881 0.028040 BFGS: 274 15:27:06 -35.399937 0.039296 BFGS: 275 15:27:06 -35.400005 0.035321 BFGS: 276 15:27:06 -35.400102 0.048122 BFGS: 277 15:27:06 -35.400157 0.057999 BFGS: 278 15:27:06 -35.400325 0.037479 BFGS: 279 15:27:06 -35.400415 0.038638 BFGS: 280 15:27:06 -35.400473 0.056475 BFGS: 281 15:27:06 -35.400559 0.040906 BFGS: 282 15:27:06 -35.400645 0.040672 BFGS: 283 15:27:06 -35.400752 0.029804 BFGS: 284 15:27:06 -35.400832 0.036084 BFGS: 285 15:27:06 -35.400942 0.012705 BFGS: 286 15:27:06 -35.401012 0.032148 BFGS: 287 15:27:06 -35.401083 0.047439 BFGS: 288 15:27:06 -35.401210 0.038988 BFGS: 289 15:27:06 -35.401283 0.028193 BFGS: 290 15:27:06 -35.401356 0.022423 BFGS: 291 15:27:06 -35.401409 0.042561 BFGS: 292 15:27:06 -35.401442 0.051157 BFGS: 293 15:27:06 -35.401532 0.027740 BFGS: 294 15:27:06 -35.401586 0.026147 BFGS: 295 15:27:06 -35.401645 0.009307 BFGS: 296 15:27:06 -35.401665 0.024431 BFGS: 297 15:27:06 -35.401696 0.020509 BFGS: 298 15:27:06 -35.401727 0.015598 BFGS: 299 15:27:06 -35.401744 0.013048 BFGS: 300 15:27:06 -35.401745 0.028267 BFGS: 301 15:27:06 -35.401757 0.003581 BFGS: 302 15:27:06 -35.401761 0.003782 BFGS: 303 15:27:06 -35.401766 0.010773 BFGS: 304 15:27:06 -35.401767 0.005478 BFGS: 305 15:27:06 -35.401768 0.002269 BFGS: 306 15:27:06 -35.401769 0.003028 BFGS: 307 15:27:06 -35.401769 0.003193 BFGS: 308 15:27:06 -35.401770 0.004613 BFGS: 309 15:27:06 -35.401770 0.005837 BFGS: 310 15:27:06 -35.401772 0.007675 BFGS: 311 15:27:06 -35.401776 0.009773 BFGS: 312 15:27:06 -35.401784 0.013803 BFGS: 313 15:27:06 -35.401777 0.027345 BFGS: 314 15:27:06 -35.401805 0.018104 BFGS: 315 15:27:06 -35.401817 0.012651 BFGS: 316 15:27:06 -35.401805 0.022792 BFGS: 317 15:27:06 -35.401827 0.010174 BFGS: 318 15:27:06 -35.401831 0.005280 BFGS: 319 15:27:06 -35.401833 0.004554 BFGS: 320 15:27:06 -35.401835 0.003900 BFGS: 321 15:27:06 -35.401836 0.003623 BFGS: 322 15:27:06 -35.401837 0.002516 BFGS: 323 15:27:06 -35.401837 0.000547 BFGS: 324 15:27:06 -35.401837 0.000331 BFGS: 325 15:27:06 -35.401837 0.000091 BFGS: 326 15:27:06 -35.401837 0.000076 BFGS: 327 15:27:06 -35.401837 0.000048 BFGS: 328 15:27:06 -35.401837 0.000026 BFGS: 329 15:27:06 -35.401837 0.000008 BFGS: 330 15:27:06 -35.401837 0.000002 BFGS: 331 15:27:06 -35.401837 0.000000 BFGS: 332 15:27:06 -35.401837 0.000000 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