element(s):
['O']
AFLOW prototype label:
A_mC16_12_2ij
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.8714', '0.72872376', '0.90691435', '149.5346', '0.035798797', '0.8320927', '0.27785058', '0.13359954', '0.37903066', '0.26389389', '0.84925787']
model name:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O']
representative atom coordinates =  [[0.7962939  0.         0.76049511]
 [0.85574896 0.         0.57789838]
 [0.97022721 0.76389389 0.09119655]]
spacegroup =  12
cell =  [[9.5678, 0, 0], [0, 6.4648, 0], [-2.4667174184809, 0, 3.7823205228224]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:19:22       20.884821         6.865478
BFGS:    1 15:19:22       19.368547         6.167435
BFGS:    2 15:19:22       17.791563         4.861362
BFGS:    3 15:19:22       16.634062         4.955391
BFGS:    4 15:19:22       15.586810         5.044324
BFGS:    5 15:19:22       14.578509         5.120649
BFGS:    6 15:19:22       13.607216         5.180210
BFGS:    7 15:19:22       12.658722         5.221273
BFGS:    8 15:19:22       11.718981         5.244802
BFGS:    9 15:19:22       10.786065         5.251313
BFGS:   10 15:19:22        9.856266         5.242933
BFGS:   11 15:19:22        8.937909         5.222329
BFGS:   12 15:19:22        8.040267         5.193415
BFGS:   13 15:19:22        7.177682         5.160432
BFGS:   14 15:19:22        6.360028         5.127343
BFGS:   15 15:19:22        5.592742         5.096505
BFGS:   16 15:19:22        4.871183         5.068002
BFGS:   17 15:19:22        4.177059         5.040359
BFGS:   18 15:19:22        3.478069         5.120566
BFGS:   19 15:19:22        2.676023         5.583055
BFGS:   20 15:19:22        1.539996         6.762748
BFGS:   21 15:19:22       -0.124032         8.019454
BFGS:   22 15:19:22       -1.895259         9.233393
BFGS:   23 15:19:22       -3.532323         9.836486
BFGS:   24 15:19:22       -4.698354        10.060061
BFGS:   25 15:19:22       -5.550104         9.879973
BFGS:   26 15:19:22       -6.266974         9.595133
BFGS:   27 15:19:22       -6.914092         9.251990
BFGS:   28 15:19:22       -7.516321         8.888845
BFGS:   29 15:19:22       -8.086524         8.517781
BFGS:   30 15:19:22       -8.632243         8.146365
BFGS:   31 15:19:22       -9.158536         7.767738
BFGS:   32 15:19:22       -9.671185         7.370325
BFGS:   33 15:19:23      -10.176714         7.007415
BFGS:   34 15:19:23      -10.679141         6.663033
BFGS:   35 15:19:23      -11.179668         6.485709
BFGS:   36 15:19:23      -11.678476         6.298979
BFGS:   37 15:19:23      -12.174125         6.098321
BFGS:   38 15:19:23      -12.663874         5.879216
BFGS:   39 15:19:23      -13.143953         5.643985
BFGS:   40 15:19:23      -13.610711         5.401228
BFGS:   41 15:19:23      -14.062004         5.165078
BFGS:   42 15:19:23      -14.497925         4.939980
BFGS:   43 15:19:23      -14.919368         4.724946
BFGS:   44 15:19:23      -15.327271         4.530766
BFGS:   45 15:19:23      -15.723575         4.340286
BFGS:   46 15:19:23      -16.108583         4.160595
BFGS:   47 15:19:23      -16.482503         3.992401
BFGS:   48 15:19:23      -16.845229         3.813039
BFGS:   49 15:19:23      -17.196732         3.649067
BFGS:   50 15:19:23      -17.537926         3.487311
BFGS:   51 15:19:23      -17.869262         3.349460
BFGS:   52 15:19:23      -18.191567         3.301238
BFGS:   53 15:19:23      -18.505310         3.254641
BFGS:   54 15:19:23      -18.811186         3.209428
BFGS:   55 15:19:23      -19.109613         3.165568
BFGS:   56 15:19:23      -19.401158         3.122862
BFGS:   57 15:19:23      -19.686171         3.081275
BFGS:   58 15:19:23      -19.965112         3.040644
BFGS:   59 15:19:23      -20.238268         3.000936
BFGS:   60 15:19:23      -20.506010         2.962022
BFGS:   61 15:19:23      -20.768569         2.923876
BFGS:   62 15:19:23      -21.026244         2.886391
BFGS:   63 15:19:23      -21.279217         2.849552
BFGS:   64 15:19:23      -21.527731         2.813274
BFGS:   65 15:19:23      -21.771929         2.777549
BFGS:   66 15:19:23      -22.012008         2.742308
BFGS:   67 15:19:23      -22.248080         2.707552
BFGS:   68 15:19:23      -22.480306         2.673225
BFGS:   69 15:19:23      -22.708775         2.639339
BFGS:   70 15:19:23      -22.933623         2.605865
BFGS:   71 15:19:23      -23.154921         2.572831
BFGS:   72 15:19:23      -23.372792         2.540209
BFGS:   73 15:19:23      -23.587293         2.508022
BFGS:   74 15:19:23      -23.798535         2.476240
BFGS:   75 15:19:23      -24.006563         2.444882
BFGS:   76 15:19:23      -24.211478         2.413918
BFGS:   77 15:19:23      -24.413315         2.383366
BFGS:   78 15:19:23      -24.612166         2.353196
BFGS:   79 15:19:23      -24.808059         2.323426
BFGS:   80 15:19:23      -25.001078         2.294024
BFGS:   81 15:19:23      -25.191246         2.265011
BFGS:   82 15:19:24      -25.378643         2.236354
BFGS:   83 15:19:24      -25.563286         2.208076
BFGS:   84 15:19:24      -25.745254         2.180143
BFGS:   85 15:19:24      -25.924559         2.152580
BFGS:   86 15:19:24      -26.101281         2.125353
BFGS:   87 15:19:24      -26.275427         2.098492
BFGS:   88 15:19:24      -26.447078         2.071961
BFGS:   89 15:19:24      -26.616240         2.045792
BFGS:   90 15:19:24      -26.782996         2.019947
BFGS:   91 15:19:24      -26.947347         1.994461
BFGS:   92 15:19:24      -27.109381         1.969293
BFGS:   93 15:19:24      -27.269093         1.944481
BFGS:   94 15:19:24      -27.426578         1.919978
BFGS:   95 15:19:24      -27.581823         1.895831
BFGS:   96 15:19:24      -27.734930         1.871988
BFGS:   97 15:19:24      -27.885879         1.848503
BFGS:   98 15:19:24      -28.034781         1.825318
BFGS:   99 15:19:24      -28.181602         1.802443
BFGS:  100 15:19:24      -28.326454         1.779760
BFGS:  101 15:19:24      -28.469278         1.757323
BFGS:  102 15:19:24      -28.610194         1.735135
BFGS:  103 15:19:24      -28.749149         1.713490
BFGS:  104 15:19:24      -28.886334         1.692748
BFGS:  105 15:19:24      -29.021772         1.672576
BFGS:  106 15:19:24      -29.155563         1.651945
BFGS:  107 15:19:25      -29.287573         1.631660
BFGS:  108 15:19:25      -29.417964         1.611632
BFGS:  109 15:19:25      -29.546644         1.591946
BFGS:  110 15:19:25      -29.673779         1.572508
BFGS:  111 15:19:25      -29.799273         1.553404
BFGS:  112 15:19:25      -29.923291         1.534542
BFGS:  113 15:19:25      -30.045735         1.516000
BFGS:  114 15:19:25      -30.166758         1.497678
BFGS:  115 15:19:25      -30.286263         1.479625
BFGS:  116 15:19:26      -30.404396         1.461768
BFGS:  117 15:19:26      -30.521072         1.444169
BFGS:  118 15:19:26      -30.636421         1.426766
BFGS:  119 15:19:26      -30.750370         1.409611
BFGS:  120 15:19:26      -30.863034         1.392654
BFGS:  121 15:19:26      -30.974354         1.375936
BFGS:  122 15:19:26      -31.084428         1.359414
BFGS:  123 15:19:26      -31.193210         1.343121
BFGS:  124 15:19:26      -31.300786         1.327017
BFGS:  125 15:19:26      -31.407111         1.311127
BFGS:  126 15:19:26      -31.512263         1.295428
BFGS:  127 15:19:27      -31.616217         1.279934
BFGS:  128 15:19:27      -31.719034         1.264629
BFGS:  129 15:19:27      -31.820696         1.249522
BFGS:  130 15:19:27      -31.921252         1.234603
BFGS:  131 15:19:27      -32.020690         1.219877
BFGS:  132 15:19:27      -32.119052         1.205335
BFGS:  133 15:19:27      -32.216330         1.190982
BFGS:  134 15:19:28      -32.312562         1.176810
BFGS:  135 15:19:28      -32.407742         1.162822
BFGS:  136 15:19:28      -32.501902         1.149012
BFGS:  137 15:19:28      -32.595041         1.135381
BFGS:  138 15:19:28      -32.687187         1.121924
BFGS:  139 15:19:28      -32.778339         1.108640
BFGS:  140 15:19:28      -32.868523         1.095526
BFGS:  141 15:19:28      -32.957741         1.082578
BFGS:  142 15:19:28      -33.046014         1.069795
BFGS:  143 15:19:28      -33.133347         1.057175
BFGS:  144 15:19:29      -33.219760         1.044715
BFGS:  145 15:19:29      -33.305258         1.032412
BFGS:  146 15:19:29      -33.389858         1.020266
BFGS:  147 15:19:29      -33.473566         1.008272
BFGS:  148 15:19:29      -33.556400         0.996429
BFGS:  149 15:19:29      -33.638364         0.984735
BFGS:  150 15:19:29      -33.719475         0.973187
BFGS:  151 15:19:29      -33.799740         0.961784
BFGS:  152 15:19:29      -33.879172         0.950523
BFGS:  153 15:19:29      -33.957778         0.939401
BFGS:  154 15:19:29      -34.035573         0.928418
BFGS:  155 15:19:29      -34.112562         0.917571
BFGS:  156 15:19:29      -34.188759         0.906858
BFGS:  157 15:19:29      -34.264170         0.896277
BFGS:  158 15:19:30      -34.338808         0.885827
BFGS:  159 15:19:30      -34.412679         0.875505
BFGS:  160 15:19:30      -34.485795         0.865310
BFGS:  161 15:19:30      -34.558162         0.855239
BFGS:  162 15:19:30      -34.629792         0.845292
BFGS:  163 15:19:30      -34.700690         0.835465
BFGS:  164 15:19:30      -34.770867         0.825758
BFGS:  165 15:19:30      -34.840329         0.816168
BFGS:  166 15:19:30      -34.909087         0.806694
BFGS:  167 15:19:30      -34.977146         0.797333
BFGS:  168 15:19:30      -35.044515         0.788086
BFGS:  169 15:19:30      -35.111202         0.778948
BFGS:  170 15:19:30      -35.177214         0.769920
BFGS:  171 15:19:30      -35.242558         0.760999
BFGS:  172 15:19:31      -35.307242         0.752184
BFGS:  173 15:19:31      -35.371272         0.743474
BFGS:  174 15:19:31      -35.434656         0.734866
BFGS:  175 15:19:31      -35.497400         0.726360
BFGS:  176 15:19:31      -35.559512         0.717953
BFGS:  177 15:19:31      -35.620996         0.709645
BFGS:  178 15:19:31      -35.681861         0.701435
BFGS:  179 15:19:31      -35.742113         0.693320
BFGS:  180 15:19:31      -35.801757         0.685300
BFGS:  181 15:19:31      -35.860801         0.677373
BFGS:  182 15:19:31      -35.919249         0.669538
BFGS:  183 15:19:32      -35.977109         0.661795
BFGS:  184 15:19:32      -36.034386         0.654141
BFGS:  185 15:19:32      -36.091086         0.646575
BFGS:  186 15:19:32      -36.147214         0.639097
BFGS:  187 15:19:32      -36.202777         0.631701
BFGS:  188 15:19:32      -36.257777         0.624391
BFGS:  189 15:19:32      -36.312221         0.617166
BFGS:  190 15:19:32      -36.366115         0.610023
BFGS:  191 15:19:32      -36.419466         0.602963
BFGS:  192 15:19:32      -36.472278         0.595984
BFGS:  193 15:19:32      -36.524557         0.589085
BFGS:  194 15:19:32      -36.576308         0.582264
BFGS:  195 15:19:32      -36.627537         0.575521
BFGS:  196 15:19:32      -36.678249         0.568855
BFGS:  197 15:19:33      -36.728448         0.562266
BFGS:  198 15:19:33      -36.778140         0.555745
BFGS:  199 15:19:33      -36.827325         0.549299
BFGS:  200 15:19:33      -36.875981         0.542919
BFGS:  201 15:19:33      -36.924072         0.536682
BFGS:  202 15:19:33      -36.971564         0.530849
BFGS:  203 15:19:33      -37.018436         0.525643
BFGS:  204 15:19:33      -37.064682         0.521103
BFGS:  205 15:19:33      -37.110309         0.516868
BFGS:  206 15:19:33      -37.155294         0.511725
BFGS:  207 15:19:33      -37.199515         0.503438
BFGS:  208 15:19:33      -37.242863         0.500527
BFGS:  209 15:19:33      -37.286159         0.518594
BFGS:  210 15:19:33      -37.330503         0.561227
BFGS:  211 15:19:33      -37.377456         0.632887
BFGS:  212 15:19:33      -37.428714         0.729955
BFGS:  213 15:19:33      -37.485426         0.829616
BFGS:  214 15:19:33      -37.546653         0.872824
BFGS:  215 15:19:34      -37.606424         0.740451
BFGS:  216 15:19:34      -37.653259         0.436940
BFGS:  217 15:19:34      -37.694415         0.493194
BFGS:  218 15:19:34      -37.735187         0.507840
BFGS:  219 15:19:34      -37.775725         0.518505
BFGS:  220 15:19:34      -37.815984         0.516178
BFGS:  221 15:19:34      -37.855791         0.516411
BFGS:  222 15:19:34      -37.894692         0.505191
BFGS:  223 15:19:34      -37.932214         0.486757
BFGS:  224 15:19:34      -37.969099         0.456369
BFGS:  225 15:19:34      -38.005474         0.442116
BFGS:  226 15:19:34      -38.041354         0.428194
BFGS:  227 15:19:34      -38.076755         0.418725
BFGS:  228 15:19:34      -38.111680         0.407756
BFGS:  229 15:19:34      -38.146149         0.398919
BFGS:  230 15:19:34      -38.180201         0.389306
BFGS:  231 15:19:35      -38.213923         0.381829
BFGS:  232 15:19:35      -38.247458         0.375531
BFGS:  233 15:19:35      -38.281053         0.371485
BFGS:  234 15:19:35      -38.315169         0.375505
BFGS:  235 15:19:35      -38.350728         0.412828
BFGS:  236 15:19:35      -38.389804         0.466647
BFGS:  237 15:19:35      -38.436512         0.504869
BFGS:  238 15:19:35      -38.479816         0.484184
BFGS:  239 15:19:35      -38.511917         0.403305
BFGS:  240 15:19:35      -38.543150         0.339215
BFGS:  241 15:19:35      -38.573795         0.332785
BFGS:  242 15:19:35      -38.603953         0.328871
BFGS:  243 15:19:35      -38.633648         0.325020
BFGS:  244 15:19:35      -38.662900         0.321829
BFGS:  245 15:19:35      -38.691723         0.318721
BFGS:  246 15:19:35      -38.720131         0.315799
BFGS:  247 15:19:36      -38.748139         0.312923
BFGS:  248 15:19:36      -38.775759         0.310106
BFGS:  249 15:19:36      -38.803002         0.307316
BFGS:  250 15:19:36      -38.829880         0.304552
BFGS:  251 15:19:36      -38.856402         0.301805
BFGS:  252 15:19:36      -38.882577         0.299077
BFGS:  253 15:19:36      -38.908414         0.296364
BFGS:  254 15:19:36      -38.933920         0.293668
BFGS:  255 15:19:36      -38.959101         0.290986
BFGS:  256 15:19:36      -38.983964         0.288321
BFGS:  257 15:19:36      -39.008515         0.287714
BFGS:  258 15:19:36      -39.032759         0.293505
BFGS:  259 15:19:36      -39.056702         0.299296
BFGS:  260 15:19:36      -39.080347         0.305053
BFGS:  261 15:19:36      -39.103700         0.310750
BFGS:  262 15:19:37      -39.126765         0.316368
BFGS:  263 15:19:37      -39.149547         0.321894
BFGS:  264 15:19:37      -39.172049         0.327318
BFGS:  265 15:19:37      -39.194275         0.332635
BFGS:  266 15:19:37      -39.216230         0.337841
BFGS:  267 15:19:37      -39.237917         0.342933
BFGS:  268 15:19:37      -39.259339         0.347877
BFGS:  269 15:19:37      -39.280485         0.351465
BFGS:  270 15:19:37      -39.301284         0.351506
BFGS:  271 15:19:37      -39.321597         0.346420
BFGS:  272 15:19:37      -39.341252         0.335420
BFGS:  273 15:19:37      -39.360090         0.319165
BFGS:  274 15:19:37      -39.378021         0.299545
BFGS:  275 15:19:37      -39.395042         0.278968
BFGS:  276 15:19:38      -39.411228         0.267595
BFGS:  277 15:19:38      -39.426693         0.274209
BFGS:  278 15:19:38      -39.441551         0.273911
BFGS:  279 15:19:38      -39.455900         0.263652
BFGS:  280 15:19:38      -39.469834         0.239558
BFGS:  281 15:19:38      -39.483503         0.211945
BFGS:  282 15:19:38      -39.497469         0.217331
BFGS:  283 15:19:38      -39.512137         0.294414
BFGS:  284 15:19:38      -39.527776         0.426956
BFGS:  285 15:19:38      -39.543700         0.432572
BFGS:  286 15:19:38      -39.559152         0.444787
BFGS:  287 15:19:38      -39.574169         0.456740
BFGS:  288 15:19:38      -39.588750         0.470397
BFGS:  289 15:19:38      -39.602906         0.484713
BFGS:  290 15:19:38      -39.616645         0.499817
BFGS:  291 15:19:38      -39.629978         0.515468
BFGS:  292 15:19:39      -39.642913         0.531606
BFGS:  293 15:19:39      -39.655463         0.548131
BFGS:  294 15:19:39      -39.667640         0.564977
BFGS:  295 15:19:39      -39.679457         0.582078
BFGS:  296 15:19:39      -39.690929         0.599379
BFGS:  297 15:19:39      -39.702071         0.616823
BFGS:  298 15:19:39      -39.712900         0.634356
BFGS:  299 15:19:39      -39.723434         0.651925
BFGS:  300 15:19:39      -39.733692         0.669473
BFGS:  301 15:19:39      -39.743692         0.686946
BFGS:  302 15:19:39      -39.753455         0.704287
BFGS:  303 15:19:39      -39.763001         0.721439
BFGS:  304 15:19:39      -39.772351         0.738347
BFGS:  305 15:19:39      -39.781503         0.753942
BFGS:  306 15:19:40      -39.790470         0.769412
BFGS:  307 15:19:40      -39.799281         0.784475
BFGS:  308 15:19:40      -39.807956         0.799125
BFGS:  309 15:19:40      -39.816515         0.813238
BFGS:  310 15:19:40      -39.824975         0.826755
BFGS:  311 15:19:40      -39.833354         0.839605
BFGS:  312 15:19:40      -39.841664         0.851738
BFGS:  313 15:19:40      -39.849919         0.863106
BFGS:  314 15:19:40      -39.858128         0.873672
BFGS:  315 15:19:40      -39.866302         0.883406
BFGS:  316 15:19:40      -39.874449         0.892285
BFGS:  317 15:19:40      -39.882574         0.900293
BFGS:  318 15:19:40      -39.890683         0.907419
BFGS:  319 15:19:40      -39.898780         0.913659
BFGS:  320 15:19:40      -39.906868         0.919014
BFGS:  321 15:19:40      -39.914949         0.923493
BFGS:  322 15:19:40      -39.923023         0.927109
BFGS:  323 15:19:41      -39.931091         0.929888
BFGS:  324 15:19:41      -39.939152         0.931870
BFGS:  325 15:19:41      -39.947205         0.933110
BFGS:  326 15:19:41      -39.955248         0.933676
BFGS:  327 15:19:41      -39.963277         0.933653
BFGS:  328 15:19:41      -39.971292         0.933141
BFGS:  329 15:19:41      -39.979289         0.932252
BFGS:  330 15:19:41      -39.987268         0.931101
BFGS:  331 15:19:41      -39.995228         0.929798
BFGS:  332 15:19:41      -40.003170         0.928429
BFGS:  333 15:19:41      -40.011097         0.927040
BFGS:  334 15:19:41      -40.019014         0.925610
BFGS:  335 15:19:41      -40.026922         0.924066
BFGS:  336 15:19:41      -40.034820         0.922348
BFGS:  337 15:19:41      -40.042706         0.920413
BFGS:  338 15:19:41      -40.050578         0.918231
BFGS:  339 15:19:41      -40.058435         0.915784
BFGS:  340 15:19:41      -40.066275         0.914034
BFGS:  341 15:19:41      -40.074093         0.914409
BFGS:  342 15:19:42      -40.081889         0.914453
BFGS:  343 15:19:42      -40.089659         0.914166
BFGS:  344 15:19:42      -40.097400         0.913549
BFGS:  345 15:19:42      -40.105109         0.912606
BFGS:  346 15:19:42      -40.112783         0.911345
BFGS:  347 15:19:42      -40.120422         0.909763
BFGS:  348 15:19:42      -40.128078         0.907708
BFGS:  349 15:19:42      -40.135869         0.905028
BFGS:  350 15:19:42      -40.144469         0.900382
BFGS:  351 15:19:42      -40.155057         0.919663
BFGS:  352 15:19:42      -40.169324         0.954127
BFGS:  353 15:19:42      -40.189580         0.992436
BFGS:  354 15:19:42      -40.216625         0.972638
BFGS:  355 15:19:42      -40.238056         0.863988
BFGS:  356 15:19:42      -40.246698         0.826909
BFGS:  357 15:19:42      -40.257745         0.693819
BFGS:  358 15:19:42      -40.267703         0.588852
BFGS:  359 15:19:42      -40.276878         0.509897
BFGS:  360 15:19:42      -40.285503         0.449042
BFGS:  361 15:19:42      -40.293771         0.404364
BFGS:  362 15:19:42      -40.301844         0.374430
BFGS:  363 15:19:43      -40.309868         0.355997
BFGS:  364 15:19:43      -40.317987         0.357460
BFGS:  365 15:19:43      -40.326228         0.398481
BFGS:  366 15:19:43      -40.334823         0.445255
BFGS:  367 15:19:43      -40.343950         0.493896
BFGS:  368 15:19:43      -40.353618         0.541094
BFGS:  369 15:19:43      -40.363602         0.583406
BFGS:  370 15:19:43      -40.373292         0.614562
BFGS:  371 15:19:43      -40.382041         0.628107
BFGS:  372 15:19:43      -40.389208         0.613541
BFGS:  373 15:19:43      -40.394760         0.555572
BFGS:  374 15:19:43      -40.401564         0.491293
BFGS:  375 15:19:43      -40.410630         0.418715
BFGS:  376 15:19:43      -40.418167         0.364019
BFGS:  377 15:19:43      -40.424807         0.330157
BFGS:  378 15:19:43      -40.430867         0.309316
BFGS:  379 15:19:44      -40.436525         0.299055
BFGS:  380 15:19:44      -40.441885         0.297001
BFGS:  381 15:19:44      -40.447013         0.301362
BFGS:  382 15:19:44      -40.451959         0.318159
BFGS:  383 15:19:44      -40.456757         0.360856
BFGS:  384 15:19:44      -40.461437         0.402127
BFGS:  385 15:19:44      -40.466024         0.441608
BFGS:  386 15:19:44      -40.470540         0.479097
BFGS:  387 15:19:44      -40.475006         0.514479
BFGS:  388 15:19:44      -40.479440         0.547712
BFGS:  389 15:19:44      -40.483859         0.578818
BFGS:  390 15:19:44      -40.488276         0.607799
BFGS:  391 15:19:44      -40.492705         0.634420
BFGS:  392 15:19:44      -40.497157         0.658527
BFGS:  393 15:19:44      -40.501644         0.680036
BFGS:  394 15:19:44      -40.506176         0.698946
BFGS:  395 15:19:45      -40.510763         0.715362
BFGS:  396 15:19:45      -40.515422         0.729670
BFGS:  397 15:19:45      -40.520168         0.742878
BFGS:  398 15:19:45      -40.525014         0.759225
BFGS:  399 15:19:45      -40.529954         0.780915
BFGS:  400 15:19:45      -40.535237         0.803574
BFGS:  401 15:19:45      -40.541294         0.822926
BFGS:  402 15:19:45      -40.547675         0.836637
BFGS:  403 15:19:45      -40.554007         0.848516
BFGS:  404 15:19:45      -40.560256         0.857368
BFGS:  405 15:19:45      -40.566379         0.856795
BFGS:  406 15:19:45      -40.572319         0.837715
BFGS:  407 15:19:45      -40.578000         0.786191
BFGS:  408 15:19:45      -40.583957         0.710964
BFGS:  409 15:19:45      -40.589879         0.654001
BFGS:  410 15:19:45      -40.595447         0.604342
BFGS:  411 15:19:45      -40.600710         0.560733
BFGS:  412 15:19:45      -40.605713         0.522764
BFGS:  413 15:19:46      -40.610492         0.489703
BFGS:  414 15:19:46      -40.615080         0.460569
BFGS:  415 15:19:46      -40.619505         0.434194
BFGS:  416 15:19:46      -40.623792         0.409282
BFGS:  417 15:19:46      -40.627962         0.384505
BFGS:  418 15:19:46      -40.632039         0.358657
BFGS:  419 15:19:46      -40.636041         0.330829
BFGS:  420 15:19:46      -40.639991         0.300586
BFGS:  421 15:19:46      -40.643904         0.268059
BFGS:  422 15:19:46      -40.647794         0.248291
BFGS:  423 15:19:46      -40.651667         0.231027
BFGS:  424 15:19:46      -40.655523         0.215246
BFGS:  425 15:19:46      -40.659359         0.201671
BFGS:  426 15:19:46      -40.663169         0.190788
BFGS:  427 15:19:46      -40.666949         0.182742
BFGS:  428 15:19:46      -40.670697         0.177320
BFGS:  429 15:19:46      -40.674412         0.174040
BFGS:  430 15:19:46      -40.678097         0.172292
BFGS:  431 15:19:47      -40.681756         0.171479
BFGS:  432 15:19:47      -40.685393         0.171101
BFGS:  433 15:19:47      -40.689016         0.170678
BFGS:  434 15:19:47      -40.692634         0.169110
BFGS:  435 15:19:47      -40.696257         0.165393
BFGS:  436 15:19:47      -40.699898         0.158895
BFGS:  437 15:19:47      -40.703743         0.148390
BFGS:  438 15:19:47      -40.707969         0.132559
BFGS:  439 15:19:47      -40.712730         0.141990
BFGS:  440 15:19:47      -40.718176         0.157145
BFGS:  441 15:19:47      -40.724464         0.178900
BFGS:  442 15:19:47      -40.731783         0.207369
BFGS:  443 15:19:47      -40.740341         0.241038
BFGS:  444 15:19:47      -40.750269         0.274822
BFGS:  445 15:19:47      -40.761288         0.297656
BFGS:  446 15:19:47      -40.772059         0.336451
BFGS:  447 15:19:47      -40.780297         0.364634
BFGS:  448 15:19:47      -40.784117         0.388141
BFGS:  449 15:19:47      -40.787166         0.343608
BFGS:  450 15:19:47      -40.791275         0.279338
BFGS:  451 15:19:47      -40.794957         0.216518
BFGS:  452 15:19:47      -40.798306         0.154627
BFGS:  453 15:19:47      -40.801384         0.117142
BFGS:  454 15:19:47      -40.804239         0.105773
BFGS:  455 15:19:47      -40.806911         0.153005
BFGS:  456 15:19:47      -40.809441         0.209529
BFGS:  457 15:19:48      -40.811866         0.267384
BFGS:  458 15:19:48      -40.814227         0.323608
BFGS:  459 15:19:48      -40.816563         0.376627
BFGS:  460 15:19:48      -40.818914         0.425231
BFGS:  461 15:19:48      -40.821318         0.468173
BFGS:  462 15:19:48      -40.823814         0.504051
BFGS:  463 15:19:48      -40.826444         0.531648
BFGS:  464 15:19:48      -40.829243         0.549888
BFGS:  465 15:19:48      -40.832240         0.557878
BFGS:  466 15:19:48      -40.835452         0.555014
BFGS:  467 15:19:48      -40.838878         0.541150
BFGS:  468 15:19:48      -40.842494         0.516781
BFGS:  469 15:19:48      -40.846255         0.483198
BFGS:  470 15:19:48      -40.850093         0.442477
BFGS:  471 15:19:48      -40.853930         0.397213
BFGS:  472 15:19:48      -40.857692         0.356065
BFGS:  473 15:19:48      -40.861321         0.329332
BFGS:  474 15:19:48      -40.864816         0.303070
BFGS:  475 15:19:48      -40.868284         0.287546
BFGS:  476 15:19:48      -40.871999         0.298253
BFGS:  477 15:19:48      -40.882101         0.343241
BFGS:  478 15:19:48      -40.900400         0.403141
BFGS:  479 15:19:48      -40.898403         0.846933
BFGS:  480 15:19:48      -40.906717         0.439311
BFGS:  481 15:19:48      -40.906521         0.266438
BFGS:  482 15:19:48      -40.911454         0.272713
BFGS:  483 15:19:48      -40.914922         0.324327
BFGS:  484 15:19:48      -40.919114         0.268914
BFGS:  485 15:19:48      -40.925714         0.117779
BFGS:  486 15:19:48      -40.929107         0.086192
BFGS:  487 15:19:48      -40.933757         0.166922
BFGS:  488 15:19:48      -40.935851         0.262631
BFGS:  489 15:19:48      -40.936502         0.219372
BFGS:  490 15:19:48      -40.939061         0.189206
BFGS:  491 15:19:48      -40.939522         0.223194
BFGS:  492 15:19:49      -40.942548         0.303091
BFGS:  493 15:19:49      -40.945393         0.300535
BFGS:  494 15:19:49      -40.945979         0.256074
BFGS:  495 15:19:49      -40.946898         0.182817
BFGS:  496 15:19:49      -40.947693         0.106730
BFGS:  497 15:19:49      -40.948553         0.097859
BFGS:  498 15:19:49      -40.950195         0.238385
BFGS:  499 15:19:49      -40.952677         0.413552
BFGS:  500 15:19:49      -40.955290         0.508562
BFGS:  501 15:19:49      -40.958086         0.566172
BFGS:  502 15:19:49      -40.960979         0.602172
BFGS:  503 15:19:49      -40.964050         0.617022
BFGS:  504 15:19:49      -40.967727         0.600289
BFGS:  505 15:19:49      -40.971630         0.537181
BFGS:  506 15:19:49      -40.975023         0.439320
BFGS:  507 15:19:49      -40.977832         0.334944
BFGS:  508 15:19:49      -40.980142         0.225243
BFGS:  509 15:19:49      -40.981996         0.133968
BFGS:  510 15:19:49      -40.983499         0.116698
BFGS:  511 15:19:49      -40.984727         0.135552
BFGS:  512 15:19:49      -40.982908         0.222352
BFGS:  513 15:19:49      -40.984973         0.143099
BFGS:  514 15:19:49      -40.985144         0.112770
BFGS:  515 15:19:50      -40.985706         0.113303
BFGS:  516 15:19:50      -40.985875         0.131846
BFGS:  517 15:19:50      -40.986201         0.246260
BFGS:  518 15:19:50      -40.986771         0.229727
BFGS:  519 15:19:50      -40.988528         0.206864
BFGS:  520 15:19:50      -40.989947         0.197063
BFGS:  521 15:19:50      -40.991321         0.194003
BFGS:  522 15:19:50      -40.992666         0.195181
BFGS:  523 15:19:50      -40.993980         0.197954
BFGS:  524 15:19:50      -40.994944         0.200538
BFGS:  525 15:19:50      -40.995012         0.137909
BFGS:  526 15:19:50      -40.995458         0.113417
BFGS:  527 15:19:50      -40.993599         0.311693
BFGS:  528 15:19:50      -40.995965         0.098176
BFGS:  529 15:19:50      -40.996308         0.094021
BFGS:  530 15:19:50      -40.996866         0.114248
BFGS:  531 15:19:50      -40.997466         0.089301
BFGS:  532 15:19:50      -40.998856         0.098015
BFGS:  533 15:19:50      -40.999825         0.108938
BFGS:  534 15:19:51      -41.001797         0.116724
BFGS:  535 15:19:51      -41.003862         0.133853
BFGS:  536 15:19:51      -41.005838         0.157957
BFGS:  537 15:19:51      -41.005157         0.182042
BFGS:  538 15:19:51      -41.008371         0.145784
BFGS:  539 15:19:51      -41.008705         0.059925
BFGS:  540 15:19:51      -41.008766         0.027284
BFGS:  541 15:19:51      -41.008799         0.040607
BFGS:  542 15:19:51      -41.008829         0.057290
BFGS:  543 15:19:51      -41.008849         0.069084
BFGS:  544 15:19:51      -41.008876         0.090313
BFGS:  545 15:19:51      -41.008927         0.118697
BFGS:  546 15:19:51      -41.009047         0.161716
BFGS:  547 15:19:51      -41.009340         0.227080
BFGS:  548 15:19:51      -41.010087         0.324437
BFGS:  549 15:19:51      -41.011014         0.381032
BFGS:  550 15:19:51      -41.010532         0.502886
BFGS:  551 15:19:51      -41.012483         0.283287
BFGS:  552 15:19:52      -41.013341         0.186688
BFGS:  553 15:19:52      -41.014113         0.028380
BFGS:  554 15:19:52      -41.014178         0.031718
BFGS:  555 15:19:52      -41.014220         0.033332
BFGS:  556 15:19:52      -41.014260         0.038411
BFGS:  557 15:19:52      -41.014202         0.076900
BFGS:  558 15:19:52      -41.014331         0.037193
BFGS:  559 15:19:52      -41.014373         0.035077
BFGS:  560 15:19:52      -41.006658         0.510068
BFGS:  561 15:19:52      -41.014451         0.033240
BFGS:  562 15:19:52      -41.014480         0.032094
BFGS:  563 15:19:52      -41.014858         0.079626
BFGS:  564 15:19:52      -41.015111         0.104139
BFGS:  565 15:19:52      -41.015827         0.182279
BFGS:  566 15:19:53      -41.016430         0.152496
BFGS:  567 15:19:53      -41.017236         0.064500
BFGS:  568 15:19:53      -41.017493         0.027716
BFGS:  569 15:19:53      -41.017522         0.069976
BFGS:  570 15:19:53      -41.017613         0.038535
BFGS:  571 15:19:53      -41.017634         0.007525
BFGS:  572 15:19:53      -41.017639         0.006264
BFGS:  573 15:19:53      -41.017641         0.005906
BFGS:  574 15:19:53      -41.017652         0.008128
BFGS:  575 15:19:53      -41.017671         0.011960
BFGS:  576 15:19:53      -41.017724         0.017183
BFGS:  577 15:19:53      -41.017833         0.027512
BFGS:  578 15:19:53      -41.018005         0.039979
BFGS:  579 15:19:53      -41.018159         0.030091
BFGS:  580 15:19:53      -41.018230         0.019925
BFGS:  581 15:19:54      -41.018234         0.019435
BFGS:  582 15:19:54      -41.018236         0.019382
BFGS:  583 15:19:54      -41.018237         0.019124
BFGS:  584 15:19:54      -41.018239         0.019224
BFGS:  585 15:19:54      -41.018243         0.019349
BFGS:  586 15:19:54      -41.018254         0.021561
BFGS:  587 15:19:54      -41.018283         0.035349
BFGS:  588 15:19:54      -41.018357         0.057526
BFGS:  589 15:19:54      -41.018532         0.089294
BFGS:  590 15:19:54      -41.018729         0.105486
BFGS:  591 15:19:54      -41.018951         0.109229
BFGS:  592 15:19:54      -41.019183         0.104360
BFGS:  593 15:19:54      -41.019411         0.094478
BFGS:  594 15:19:54      -41.019619         0.081659
BFGS:  595 15:19:54      -41.019798         0.068254
BFGS:  596 15:19:54      -41.019941         0.052961
BFGS:  597 15:19:55      -41.020049         0.044471
BFGS:  598 15:19:55      -41.020119         0.034585
BFGS:  599 15:19:55      -41.020169         0.030296
BFGS:  600 15:19:55      -41.020192         0.005101
BFGS:  601 15:19:55      -41.020191         0.019967
BFGS:  602 15:19:55      -41.020200         0.003343
BFGS:  603 15:19:55      -41.020200         0.003256
BFGS:  604 15:19:55      -41.020201         0.002704
BFGS:  605 15:19:55      -41.020201         0.002043
BFGS:  606 15:19:55      -41.020201         0.000705
BFGS:  607 15:19:55      -41.020201         0.000145
BFGS:  608 15:19:55      -41.020201         0.000042
BFGS:  609 15:19:55      -41.020201         0.000022
BFGS:  610 15:19:55      -41.020201         0.000005
BFGS:  611 15:19:55      -41.020201         0.000005
BFGS:  612 15:19:56      -41.020201         0.000003
BFGS:  613 15:19:56      -41.020201         0.000001
BFGS:  614 15:19:56      -41.020201         0.000000
BFGS:  615 15:19:56      -41.020201         0.000000
BFGS:  616 15:19:56      -41.020201         0.000000
Minimization converged after 616 steps.
Maximum force component: 1.2630412972013806e-09 eV/Angstrom
Maximum stress component: 3.260148818929545e-12 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']
basis =  [[7.09582291e-01 0.00000000e+00 5.34745012e-01]
 [2.90417709e-01 1.00000000e+00 4.65254988e-01]
 [2.09582291e-01 5.00000000e-01 5.34745012e-01]
 [7.90417709e-01 5.00000000e-01 4.65254988e-01]
 [7.90417709e-01 4.14887310e-18 4.65254988e-01]
 [2.09582291e-01 1.00000000e+00 5.34745012e-01]
 [2.90417709e-01 5.00000000e-01 4.65254988e-01]
 [7.09582291e-01 5.00000000e-01 5.34745012e-01]
 [9.82627494e-01 7.50000000e-01 8.08354185e-02]
 [1.73725062e-02 7.50000000e-01 9.19164581e-01]
 [4.82627494e-01 2.50000000e-01 8.08354185e-02]
 [5.17372506e-01 2.50000000e-01 9.19164581e-01]
 [1.73725062e-02 2.50000000e-01 9.19164581e-01]
 [9.82627494e-01 2.50000000e-01 8.08354185e-02]
 [5.17372506e-01 7.50000000e-01 9.19164581e-01]
 [4.82627494e-01 7.50000000e-01 8.08354185e-02]]
cellpar =  Cell([[12.747182578383411, -4.465931576027003e-16, 2.7608885388013507], [6.997473831569452e-16, 15.577651037869726, 5.406012844717461e-15], [-2.2556256783750825, 4.270504740029601e-15, 6.11885978760674]])
forces =  [[-1.15414525e-09  1.89167637e-25 -1.55138382e-11]
 [ 1.15414525e-09 -1.89167637e-25  1.55138382e-11]
 [-1.15414525e-09  1.89167637e-25 -1.55138382e-11]
 [ 1.15414525e-09 -1.89167637e-25  1.55138382e-11]
 [ 1.26304130e-09 -2.57794735e-25 -6.30657873e-11]
 [-1.26304130e-09  2.57792430e-25  6.30657873e-11]
 [ 1.26304130e-09 -2.57792430e-25 -6.30657873e-11]
 [-1.26304130e-09  2.57792430e-25  6.30657873e-11]
 [ 3.35741268e-10 -4.22757399e-11 -3.26178786e-10]
 [-3.35741268e-10 -4.22757399e-11  3.26178786e-10]
 [ 3.35741268e-10 -4.22757399e-11 -3.26178786e-10]
 [-3.35741268e-10 -4.22757399e-11  3.26178786e-10]
 [-3.35741268e-10  4.22757399e-11  3.26178786e-10]
 [ 3.35741268e-10  4.22757399e-11 -3.26178786e-10]
 [-3.35741268e-10  4.22757399e-11  3.26178786e-10]
 [ 3.35741268e-10  4.22757399e-11 -3.26178786e-10]]
stress =  [ 1.85398796e-12  3.26014882e-12  1.37019657e-12  1.86881139e-27
  1.62896345e-12 -7.76531638e-28]
energy per atom =  -2.563762587999335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC16_12_2ij, while relaxed is A_oC8_66_l. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.