element(s):
['B']
AFLOW prototype label:
A_hR15_166_ac2h
Parameter names:
['a', 'c/a', 'x2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8081228', '2.0673177', '0.86537159', '0.69320346', '0.1989522', '0.49400341', '0.16933466']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'B', 'B', 'B']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.86537159]
 [0.16475042 0.83524958 0.52845304]
 [0.10822292 0.89177708 0.38578049]]
spacegroup =  166
cell =  [[5.8081, 0, 0], [-2.90405, 5.0299621477204, 0], [0, 0, 12.0072]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:58:06      -91.663877        21.654799
BFGS:    1 14:58:06      -97.508876        20.485449
BFGS:    2 14:58:07     -101.763129        19.957344
BFGS:    3 14:58:07     -105.906384        18.917590
BFGS:    4 14:58:07     -109.298159        17.912642
BFGS:    5 14:58:07     -112.319493        16.791991
BFGS:    6 14:58:08     -115.114210        15.958709
BFGS:    7 14:58:09     -117.706707        15.065437
BFGS:    8 14:58:09     -120.156773        14.344365
BFGS:    9 14:58:09     -122.457193        13.715542
BFGS:   10 14:58:09     -124.716476        13.176064
BFGS:   11 14:58:09     -126.894499        12.660616
BFGS:   12 14:58:10     -129.000514        12.178297
BFGS:   13 14:58:10     -131.004959        12.147977
BFGS:   14 14:58:10     -132.852346        12.133030
BFGS:   15 14:58:10     -134.518542        12.086289
BFGS:   16 14:58:10     -136.701620        11.948380
BFGS:   17 14:58:10     -139.296010        11.821699
BFGS:   18 14:58:10     -141.299343        11.578411
BFGS:   19 14:58:11     -143.412806        11.376372
BFGS:   20 14:58:11     -145.229711        11.146736
BFGS:   21 14:58:11     -146.984108        10.919472
BFGS:   22 14:58:11     -148.686319        10.695011
BFGS:   23 14:58:11     -150.345192        10.478673
BFGS:   24 14:58:12     -151.947718        10.271374
BFGS:   25 14:58:12     -153.491394        10.074238
BFGS:   26 14:58:12     -154.977705         9.888462
BFGS:   27 14:58:12     -156.410005         9.716630
BFGS:   28 14:58:12     -157.793587         9.566385
BFGS:   29 14:58:13     -159.138141         9.456160
BFGS:   30 14:58:13     -160.461949         9.385680
BFGS:   31 14:58:13     -161.765988         9.160831
BFGS:   32 14:58:13     -162.948521         8.774156
BFGS:   33 14:58:13     -164.053962         8.533345
BFGS:   34 14:58:13     -165.125286         8.389742
BFGS:   35 14:58:13     -166.179753         8.281484
BFGS:   36 14:58:13     -167.218607         8.187387
BFGS:   37 14:58:13     -168.240087         8.101679
BFGS:   38 14:58:13     -169.243681         8.022831
BFGS:   39 14:58:14     -170.246911         7.956413
BFGS:   40 14:58:14     -171.238846         7.902894
BFGS:   41 14:58:14     -172.187842         7.855310
BFGS:   42 14:58:14     -173.060110         7.798905
BFGS:   43 14:58:14     -173.958527         7.758591
BFGS:   44 14:58:14     -174.785058         7.705764
BFGS:   45 14:58:14     -175.651734         7.666579
BFGS:   46 14:58:14     -176.504821         7.628438
BFGS:   47 14:58:14     -177.354847         7.592172
BFGS:   48 14:58:14     -178.216782         7.560213
BFGS:   49 14:58:15     -179.082170         7.528862
BFGS:   50 14:58:15     -179.977278         7.504058
BFGS:   51 14:58:15     -180.885618         7.481037
BFGS:   52 14:58:16     -181.826036         7.464322
BFGS:   53 14:58:16     -182.785461         7.450754
BFGS:   54 14:58:16     -183.766920         7.439317
BFGS:   55 14:58:17     -184.784727         7.432057
BFGS:   56 14:58:17     -185.841718         7.428931
BFGS:   57 14:58:17     -186.850983         7.429729
BFGS:   58 14:58:17     -187.813915         7.433611
BFGS:   59 14:58:17     -188.736871         7.439866
BFGS:   60 14:58:17     -189.626483         7.447932
BFGS:   61 14:58:18     -190.489108         7.457384
BFGS:   62 14:58:18     -191.330290         7.467774
BFGS:   63 14:58:18     -192.155333         7.479176
BFGS:   64 14:58:18     -192.967472         7.491290
BFGS:   65 14:58:18     -193.769561         7.504031
BFGS:   66 14:58:18     -194.563813         7.517341
BFGS:   67 14:58:18     -195.351954         7.531183
BFGS:   68 14:58:18     -196.135349         7.545530
BFGS:   69 14:58:19     -196.915106         7.559127
BFGS:   70 14:58:19     -197.695166         7.574518
BFGS:   71 14:58:19     -198.472000         7.590395
BFGS:   72 14:58:19     -199.246805         7.606726
BFGS:   73 14:58:20     -200.020577         7.623490
BFGS:   74 14:58:20     -200.794182         7.640669
BFGS:   75 14:58:20     -201.568400         7.658250
BFGS:   76 14:58:20     -202.343964         7.676222
BFGS:   77 14:58:20     -203.121582         7.694576
BFGS:   78 14:58:21     -203.901956         7.713305
BFGS:   79 14:58:21     -204.685797         7.732407
BFGS:   80 14:58:21     -205.473829         7.751880
BFGS:   81 14:58:21     -206.266803         7.771732
BFGS:   82 14:58:21     -207.065491         7.791978
BFGS:   83 14:58:22     -207.870700         7.812644
BFGS:   84 14:58:22     -208.683257         7.833777
BFGS:   85 14:58:22     -209.504013         7.855452
BFGS:   86 14:58:22     -210.333829         7.877780
BFGS:   87 14:58:22     -211.173562         7.900935
BFGS:   88 14:58:22     -212.024040         7.925177
BFGS:   89 14:58:22     -212.886037         7.950893
BFGS:   90 14:58:23     -213.760224         7.978654
BFGS:   91 14:58:23     -214.647118         8.009287
BFGS:   92 14:58:23     -215.546917         8.043958
BFGS:   93 14:58:23     -216.458360         8.084197
BFGS:   94 14:58:23     -217.399709         8.132125
BFGS:   95 14:58:23     -218.308861         8.184368
BFGS:   96 14:58:24     -219.176409         8.237273
BFGS:   97 14:58:24     -219.999219         8.285450
BFGS:   98 14:58:24     -220.782302         8.323193
BFGS:   99 14:58:24     -221.533237         8.344940
BFGS:  100 14:58:24     -222.269009         8.340021
BFGS:  101 14:58:24     -223.003025         8.313447
BFGS:  102 14:58:25     -223.746553         8.254362
BFGS:  103 14:58:25     -224.486085         8.174496
BFGS:  104 14:58:25     -225.206058         8.095690
BFGS:  105 14:58:25     -225.906825         8.026497
BFGS:  106 14:58:25     -226.587920         7.970950
BFGS:  107 14:58:25     -227.250624         7.926835
BFGS:  108 14:58:26     -227.893791         7.892318
BFGS:  109 14:58:26     -228.517119         7.865402
BFGS:  110 14:58:26     -229.121082         7.844337
BFGS:  111 14:58:26     -229.706695         7.827737
BFGS:  112 14:58:26     -230.275272         7.814568
BFGS:  113 14:58:26     -230.828239         7.804078
BFGS:  114 14:58:26     -231.366977         7.790126
BFGS:  115 14:58:26     -231.887510         7.778149
BFGS:  116 14:58:27     -232.399697         7.769706
BFGS:  117 14:58:27     -232.904337         7.765486
BFGS:  118 14:58:27     -233.394059         7.756211
BFGS:  119 14:58:27     -233.877720         7.749367
BFGS:  120 14:58:27     -234.357631         7.747653
BFGS:  121 14:58:27     -234.829745         7.746755
BFGS:  122 14:58:27     -235.294687         7.746501
BFGS:  123 14:58:27     -235.753018         7.746752
BFGS:  124 14:58:27     -236.205232         7.747407
BFGS:  125 14:58:28     -236.651765         7.748394
BFGS:  126 14:58:28     -237.089014         7.745412
BFGS:  127 14:58:28     -237.522477         7.742621
BFGS:  128 14:58:28     -237.956190         7.744084
BFGS:  129 14:58:28     -238.385250         7.745910
BFGS:  130 14:58:28     -238.797999         7.736263
BFGS:  131 14:58:28     -239.221761         7.738409
BFGS:  132 14:58:28     -239.637045         7.737200
BFGS:  133 14:58:29     -240.053179         7.740506
BFGS:  134 14:58:29     -240.464756         7.744590
BFGS:  135 14:58:29     -240.871639         7.749524
BFGS:  136 14:58:29     -241.273617         7.755401
BFGS:  137 14:58:29     -241.670386         7.762316
BFGS:  138 14:58:29     -242.045583         7.672800
BFGS:  139 14:58:29     -242.460890         7.664518
BFGS:  140 14:58:29     -242.849772         7.635771
BFGS:  141 14:58:29     -243.272169         7.633639
BFGS:  142 14:58:29     -243.692823         7.634879
BFGS:  143 14:58:30     -244.094383         7.624435
BFGS:  144 14:58:30     -244.513788         7.631860
BFGS:  145 14:58:30     -244.929575         7.642874
BFGS:  146 14:58:30     -245.340647         7.656793
BFGS:  147 14:58:30     -245.746503         7.673652
BFGS:  148 14:58:31     -246.146461         7.694180
BFGS:  149 14:58:31     -246.536333         7.715317
BFGS:  150 14:58:31     -246.924093         7.737612
BFGS:  151 14:58:31     -247.280423         7.736430
BFGS:  152 14:58:31     -247.664586         7.754152
BFGS:  153 14:58:31     -248.042364         7.761498
BFGS:  154 14:58:32     -248.414459         7.757371
BFGS:  155 14:58:32     -248.785956         7.741014
BFGS:  156 14:58:32     -249.155493         7.707954
BFGS:  157 14:58:32     -249.519378         7.654880
BFGS:  158 14:58:32     -249.888356         7.587929
BFGS:  159 14:58:32     -250.256650         7.504618
BFGS:  160 14:58:32     -250.624821         7.407837
BFGS:  161 14:58:32     -250.968123         7.284881
BFGS:  162 14:58:33     -251.336915         7.172084
BFGS:  163 14:58:33     -251.706521         7.055905
BFGS:  164 14:58:33     -252.076917         6.938649
BFGS:  165 14:58:33     -252.447957         6.821983
BFGS:  166 14:58:33     -252.819407         6.707012
BFGS:  167 14:58:34     -253.190976         6.594397
BFGS:  168 14:58:34     -253.553971         6.480290
BFGS:  169 14:58:34     -253.924457         6.373839
BFGS:  170 14:58:34     -254.294041         6.270031
BFGS:  171 14:58:34     -254.662408         6.168753
BFGS:  172 14:58:35     -255.029260         6.069853
BFGS:  173 14:58:35     -255.394321         5.973173
BFGS:  174 14:58:35     -255.757341         5.878561
BFGS:  175 14:58:35     -256.118090         5.785882
BFGS:  176 14:58:35     -256.476361         5.695025
BFGS:  177 14:58:35     -256.831965         5.605905
BFGS:  178 14:58:36     -257.184735         5.518460
BFGS:  179 14:58:36     -257.534518         5.432656
BFGS:  180 14:58:36     -257.881181         5.348482
BFGS:  181 14:58:36     -258.224605         5.265949
BFGS:  182 14:58:36     -258.564689         5.185090
BFGS:  183 14:58:36     -258.901346         5.105958
BFGS:  184 14:58:36     -259.234509         5.028617
BFGS:  185 14:58:36     -259.564124         4.953142
BFGS:  186 14:58:36     -259.890156         4.879601
BFGS:  187 14:58:36     -260.212585         4.808042
BFGS:  188 14:58:37     -260.531402         4.738452
BFGS:  189 14:58:37     -260.846601         4.670706
BFGS:  190 14:58:37     -261.158165         4.604481
BFGS:  191 14:58:37     -261.466037         4.539116
BFGS:  192 14:58:37     -261.770078         4.473429
BFGS:  193 14:58:38     -262.070000         4.405479
BFGS:  194 14:58:38     -262.365274         4.332362
BFGS:  195 14:58:38     -262.655039         4.250198
BFGS:  196 14:58:38     -262.938052         4.154628
BFGS:  197 14:58:38     -263.212791         4.042122
BFGS:  198 14:58:38     -263.477776         3.911896
BFGS:  199 14:58:38     -263.732037         3.767318
BFGS:  200 14:58:39     -263.975461         3.615361
BFGS:  201 14:58:39     -264.208733         3.464117
BFGS:  202 14:58:39     -264.432952         3.320164
BFGS:  203 14:58:39     -264.649237         3.187367
BFGS:  204 14:58:39     -264.858498         3.067129
BFGS:  205 14:58:39     -265.061401         2.959237
BFGS:  206 14:58:39     -265.258410         2.862660
BFGS:  207 14:58:40     -265.449848         2.776077
BFGS:  208 14:58:40     -265.635951         2.698172
BFGS:  209 14:58:40     -265.816906         2.627751
BFGS:  210 14:58:40     -265.992869         2.563795
BFGS:  211 14:58:40     -266.163981         2.505451
BFGS:  212 14:58:40     -266.330377         2.452020
BFGS:  213 14:58:40     -266.492188         2.402931
BFGS:  214 14:58:41     -266.649550         2.357722
BFGS:  215 14:58:41     -266.802596         2.316017
BFGS:  216 14:58:41     -266.951469         2.277509
BFGS:  217 14:58:41     -267.096313         2.241948
BFGS:  218 14:58:41     -267.237280         2.209126
BFGS:  219 14:58:41     -267.368419         1.914303
BFGS:  220 14:58:41     -267.499584         1.886886
BFGS:  221 14:58:41     -267.626430         1.861270
BFGS:  222 14:58:41     -267.749307         1.836916
BFGS:  223 14:58:41     -267.868496         1.813747
BFGS:  224 14:58:42     -267.984232         1.791748
BFGS:  225 14:58:42     -268.096732         1.770899
BFGS:  226 14:58:42     -268.206198         1.751164
BFGS:  227 14:58:42     -268.312822         1.732488
BFGS:  228 14:58:42     -268.416791         1.714795
BFGS:  229 14:58:42     -268.518284         1.697993
BFGS:  230 14:58:42     -268.617472         1.681975
BFGS:  231 14:58:42     -268.714516         1.666622
BFGS:  232 14:58:42     -268.809565         1.651811
BFGS:  233 14:58:42     -268.902757         1.637412
BFGS:  234 14:58:43     -268.994215         1.623297
BFGS:  235 14:58:43     -269.084049         1.609340
BFGS:  236 14:58:43     -269.172355         1.595423
BFGS:  237 14:58:43     -269.259212         1.581437
BFGS:  238 14:58:43     -269.344689         1.567283
BFGS:  239 14:58:43     -269.428838         1.552877
BFGS:  240 14:58:43     -269.511701         1.538147
BFGS:  241 14:58:43     -269.593309         1.523035
BFGS:  242 14:58:44     -269.673680         1.507496
BFGS:  243 14:58:44     -269.752827         1.491497
BFGS:  244 14:58:44     -269.830752         1.475019
BFGS:  245 14:58:44     -269.907424         1.332757
BFGS:  246 14:58:44     -269.983231         1.313028
BFGS:  247 14:58:44     -270.057954         1.303261
BFGS:  248 14:58:44     -270.131595         1.285967
BFGS:  249 14:58:45     -270.203764         1.268256
BFGS:  250 14:58:45     -270.274440         1.250065
BFGS:  251 14:58:45     -270.343600         1.231379
BFGS:  252 14:58:45     -270.411223         1.212203
BFGS:  253 14:58:45     -270.477284         1.192550
BFGS:  254 14:58:46     -270.541761         1.172438
BFGS:  255 14:58:46     -270.604630         1.152981
BFGS:  256 14:58:46     -270.665869         1.155814
BFGS:  257 14:58:47     -270.725456         1.159011
BFGS:  258 14:58:47     -270.783372         1.162554
BFGS:  259 14:58:47     -270.839600         1.166422
BFGS:  260 14:58:47     -270.894125         1.170597
BFGS:  261 14:58:48     -270.946938         1.175059
BFGS:  262 14:58:48     -270.998031         1.179788
BFGS:  263 14:58:48     -271.047404         1.184765
BFGS:  264 14:58:48     -271.095061         1.189967
BFGS:  265 14:58:48     -271.141012         1.195374
BFGS:  266 14:58:49     -271.182938         1.202361
BFGS:  267 14:58:49     -271.225561         1.208069
BFGS:  268 14:58:49     -271.266554         1.213910
BFGS:  269 14:58:49     -271.305959         1.219856
BFGS:  270 14:58:50     -271.343826         1.225876
BFGS:  271 14:58:50     -271.380215         1.231940
BFGS:  272 14:58:50     -271.415192         1.238014
BFGS:  273 14:58:50     -271.432166         1.252714
BFGS:  274 14:58:51     -271.464697         1.258519
BFGS:  275 14:58:51     -271.496042         1.264251
BFGS:  276 14:58:51     -271.526286         1.269876
BFGS:  277 14:58:51     -271.555521         1.275357
BFGS:  278 14:58:52     -271.583838         1.280662
BFGS:  279 14:58:52     -271.611328         1.285764
BFGS:  280 14:58:52     -271.638077         1.290640
BFGS:  281 14:58:52     -271.664171         1.295274
BFGS:  282 14:58:52     -271.695120         1.296738
BFGS:  283 14:58:53     -271.720173         1.300914
BFGS:  284 14:58:53     -271.743452         1.305385
BFGS:  285 14:58:53     -271.767713         1.309068
BFGS:  286 14:58:53     -271.791655         1.312549
BFGS:  287 14:58:54     -271.806743         1.319153
BFGS:  288 14:58:54     -271.830275         1.322258
BFGS:  289 14:58:54     -271.853601         1.325285
BFGS:  290 14:58:54     -271.876756         1.328281
BFGS:  291 14:58:55     -271.896424         1.332465
BFGS:  292 14:58:55     -271.916584         1.391871
BFGS:  293 14:58:55     -271.940446         1.394721
BFGS:  294 14:58:55     -271.970421         1.394385
BFGS:  295 14:58:55     -271.993828         1.397410
BFGS:  296 14:58:55     -272.016993         1.400574
BFGS:  297 14:58:55     -272.039941         1.403903
BFGS:  298 14:58:56     -272.062690         1.407415
BFGS:  299 14:58:56     -272.085256         1.411128
BFGS:  300 14:58:56     -272.106152         1.415474
BFGS:  301 14:58:56     -272.128410         1.419611
BFGS:  302 14:58:56     -272.150523         1.423982
BFGS:  303 14:58:56     -272.158855         1.432011
BFGS:  304 14:58:56     -272.180895         1.436703
BFGS:  305 14:58:56     -272.202827         1.441640
BFGS:  306 14:58:57     -272.224676         1.446821
BFGS:  307 14:58:57     -272.246470         1.452242
BFGS:  308 14:58:57     -272.268251         1.457896
BFGS:  309 14:58:57     -272.290067         1.463775
BFGS:  310 14:58:57     -272.305613         1.472539
BFGS:  311 14:58:57     -272.327429         1.478773
BFGS:  312 14:58:57     -272.349535         1.485193
BFGS:  313 14:58:57     -272.372083         1.491786
BFGS:  314 14:58:58     -272.390068         1.499382
BFGS:  315 14:58:58     -272.408349         1.507119
BFGS:  316 14:58:58     -272.434137         1.513959
BFGS:  317 14:58:58     -272.459519         1.520472
BFGS:  318 14:58:58     -272.490668         1.527390
BFGS:  319 14:58:58     -272.518031         1.535634
BFGS:  320 14:58:58     -272.530085         1.553447
BFGS:  321 14:58:58     -272.568805         1.545179
BFGS:  322 14:58:58     -272.604932         1.537198
BFGS:  323 14:58:59     -272.641067         1.528395
BFGS:  324 14:58:59     -272.676284         1.519329
BFGS:  325 14:58:59     -272.710667         1.509996
BFGS:  326 14:58:59     -272.744266         1.500396
BFGS:  327 14:58:59     -272.777111         1.490527
BFGS:  328 14:58:59     -272.809220         1.480385
BFGS:  329 14:58:59     -272.846327         1.469129
BFGS:  330 14:58:59     -272.876914         1.458444
BFGS:  331 14:58:59     -272.906781         1.447473
BFGS:  332 14:59:00     -272.935935         1.436216
BFGS:  333 14:59:00     -272.964381         1.424669
BFGS:  334 14:59:00     -272.997674         1.411837
BFGS:  335 14:59:00     -273.024650         1.399697
BFGS:  336 14:59:00     -273.055534         1.386352
BFGS:  337 14:59:00     -273.081116         1.373493
BFGS:  338 14:59:00     -273.105811         1.338645
BFGS:  339 14:59:00     -273.140124         1.345029
BFGS:  340 14:59:00     -273.171973         1.267008
BFGS:  341 14:59:00     -273.191890         1.228705
BFGS:  342 14:59:00     -273.207746         1.178536
BFGS:  343 14:59:00     -273.223232         1.164174
BFGS:  344 14:59:00     -273.237751         1.149432
BFGS:  345 14:59:00     -273.251493         1.134325
BFGS:  346 14:59:00     -273.276780         1.119852
BFGS:  347 14:59:00     -273.289584         1.104015
BFGS:  348 14:59:01     -273.302292         1.087955
BFGS:  349 14:59:01     -273.323436         1.070229
BFGS:  350 14:59:01     -273.356402         1.046776
BFGS:  351 14:59:01     -273.371278         1.030740
BFGS:  352 14:59:01     -273.387852         1.015659
BFGS:  353 14:59:01     -273.406611         1.011787
BFGS:  354 14:59:01     -273.430009         1.025267
BFGS:  355 14:59:01     -273.454217         1.042097
BFGS:  356 14:59:01     -273.480807         1.058544
BFGS:  357 14:59:01     -273.510679         1.061499
BFGS:  358 14:59:01     -273.540136         1.042462
BFGS:  359 14:59:01     -273.570595         1.057148
BFGS:  360 14:59:01     -273.589983         1.074158
BFGS:  361 14:59:01     -273.606827         1.089325
BFGS:  362 14:59:01     -273.621631         1.104038
BFGS:  363 14:59:02     -273.646554         1.123074
BFGS:  364 14:59:02     -273.657236         1.133440
BFGS:  365 14:59:02     -273.666471         1.146187
BFGS:  366 14:59:02     -273.674327         1.159129
BFGS:  367 14:59:02     -273.687205         1.175275
BFGS:  368 14:59:02     -273.695924         1.187394
BFGS:  369 14:59:02     -273.700934         1.198222
BFGS:  370 14:59:02     -273.705821         1.211345
BFGS:  371 14:59:02     -273.713376         1.228139
BFGS:  372 14:59:02     -273.722247         1.247363
BFGS:  373 14:59:02     -273.730807         1.269145
BFGS:  374 14:59:02     -273.743994         1.299310
BFGS:  375 14:59:02     -273.758698         1.339678
BFGS:  376 14:59:02     -273.777910         1.403967
BFGS:  377 14:59:03     -273.790882         1.470033
BFGS:  378 14:59:03     -273.802199         1.534696
BFGS:  379 14:59:03     -273.803491         1.562269
BFGS:  380 14:59:03     -273.804455         1.560540
BFGS:  381 14:59:03     -273.806866         1.546896
BFGS:  382 14:59:03     -273.808561         1.536799
BFGS:  383 14:59:03     -273.811134         1.531510
BFGS:  384 14:59:03     -273.814105         1.540701
BFGS:  385 14:59:03     -273.816437         1.560818
BFGS:  386 14:59:03     -273.817545         1.573740
BFGS:  387 14:59:03     -273.818138         1.576255
BFGS:  388 14:59:03     -273.818609         1.570547
BFGS:  389 14:59:03     -273.819076         1.556224
BFGS:  390 14:59:03     -273.819560         1.533929
BFGS:  391 14:59:04     -273.819941         1.513658
BFGS:  392 14:59:04     -273.820210         1.502404
BFGS:  393 14:59:04     -273.820392         1.501073
BFGS:  394 14:59:04     -273.820529         1.506036
BFGS:  395 14:59:04     -273.820625         1.513155
BFGS:  396 14:59:04     -273.820680         1.518180
BFGS:  397 14:59:04     -273.820711         1.520470
BFGS:  398 14:59:04     -273.820728         1.520898
BFGS:  399 14:59:04     -273.820736         1.520388
BFGS:  400 14:59:04     -273.820740         1.519622
BFGS:  401 14:59:04     -273.820742         1.518991
BFGS:  402 14:59:04     -273.820742         1.518488
BFGS:  403 14:59:04     -273.820743         1.518239
BFGS:  404 14:59:04     -273.820743         1.517973
BFGS:  405 14:59:04     -273.820743         1.517966
BFGS:  406 14:59:04     -273.820743         1.517920
BFGS:  407 14:59:04     -273.820743         1.517888
BFGS:  408 14:59:05     -273.820744         1.517824
BFGS:  409 14:59:05     -273.820745         1.517732
BFGS:  410 14:59:05     -273.820748         1.517579
BFGS:  411 14:59:05     -273.820756         1.517337
BFGS:  412 14:59:05     -273.820777         1.516946
BFGS:  413 14:59:05     -273.820833         1.516326
BFGS:  414 14:59:05     -273.820980         1.515354
BFGS:  415 14:59:05     -273.821368         1.513885
BFGS:  416 14:59:05     -273.822398         1.511847
BFGS:  417 14:59:05     -273.825151         1.509707
BFGS:  418 14:59:05     -273.832592         1.510206
BFGS:  419 14:59:05     -273.852897         1.523859
BFGS:  420 14:59:05     -273.912478         1.584810
BFGS:  421 14:59:05     -274.063008         1.748471
BFGS:  422 14:59:05     -274.171101         1.818505
BFGS:  423 14:59:06     -274.269905         1.845340
BFGS:  424 14:59:06     -274.371665         1.856841
BFGS:  425 14:59:06     -274.472967         1.855023
BFGS:  426 14:59:06     -274.575186         1.840856
BFGS:  427 14:59:06     -274.675157         1.825400
BFGS:  428 14:59:06     -274.770242         1.797053
BFGS:  429 14:59:06     -274.867762         1.774232
BFGS:  430 14:59:06     -274.959954         1.741686
BFGS:  431 14:59:06     -275.040078         1.706656
BFGS:  432 14:59:06     -275.133505         1.674511
BFGS:  433 14:59:06     -275.225085         1.630160
BFGS:  434 14:59:06     -275.294373         1.586351
BFGS:  435 14:59:06     -275.383723         1.547482
BFGS:  436 14:59:06     -275.464232         1.508065
BFGS:  437 14:59:06     -275.541000         1.472075
BFGS:  438 14:59:06     -275.599380         1.420301
BFGS:  439 14:59:06     -275.678456         1.384991
BFGS:  440 14:59:06     -275.748530         1.339707
BFGS:  441 14:59:07     -275.809746         1.300776
BFGS:  442 14:59:07     -275.876193         1.260091
BFGS:  443 14:59:07     -275.936362         1.220803
BFGS:  444 14:59:07     -275.998444         1.178567
BFGS:  445 14:59:07     -276.057121         1.138754
BFGS:  446 14:59:07     -276.113091         1.098274
BFGS:  447 14:59:07     -276.166771         1.058146
BFGS:  448 14:59:07     -276.216434         1.017686
BFGS:  449 14:59:07     -276.266362         0.975253
BFGS:  450 14:59:07     -276.312911         0.793255
BFGS:  451 14:59:07     -276.363498         0.935242
BFGS:  452 14:59:07     -276.407985         0.769570
BFGS:  453 14:59:07     -276.451246         0.749815
BFGS:  454 14:59:07     -276.481464         0.722811
BFGS:  455 14:59:07     -276.520788         0.682128
BFGS:  456 14:59:08     -276.547256         0.642340
BFGS:  457 14:59:08     -276.577949         0.594893
BFGS:  458 14:59:08     -276.603718         0.548835
BFGS:  459 14:59:08     -276.625886         0.502168
BFGS:  460 14:59:08     -276.645000         0.454328
BFGS:  461 14:59:08     -276.658817         0.402269
BFGS:  462 14:59:08     -276.673206         0.353426
BFGS:  463 14:59:08     -276.684140         0.309935
BFGS:  464 14:59:08     -276.693203         0.259067
BFGS:  465 14:59:08     -276.700409         0.205205
BFGS:  466 14:59:08     -276.705829         0.174359
BFGS:  467 14:59:08     -276.709638         0.159891
BFGS:  468 14:59:08     -276.707026         0.136610
BFGS:  469 14:59:08     -276.708514         0.110209
BFGS:  470 14:59:08     -276.709935         0.069200
BFGS:  471 14:59:09     -276.711031         0.028742
BFGS:  472 14:59:09     -276.711294         0.010186
BFGS:  473 14:59:09     -276.711317         0.001703
BFGS:  474 14:59:09     -276.711318         0.000607
BFGS:  475 14:59:09     -276.711318         0.000335
BFGS:  476 14:59:09     -276.711318         0.000067
BFGS:  477 14:59:09     -276.711318         0.000019
BFGS:  478 14:59:09     -276.711318         0.000003
BFGS:  479 14:59:09     -276.711318         0.000001
BFGS:  480 14:59:09     -276.711318         0.000000
BFGS:  481 14:59:09     -276.711318         0.000000
BFGS:  482 14:59:09     -276.711318         0.000000
BFGS:  483 14:59:09     -276.711318         0.000000
BFGS:  484 14:59:09     -276.711318         0.000000
BFGS:  485 14:59:10     -276.711318         0.000000
BFGS:  486 14:59:10     -276.711318         0.000000
Minimization converged after 486 steps.
Maximum force component: 2.1203148868865097e-09 eV/Angstrom
Maximum stress component: 9.163273914313536e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [0.00000000e+00 1.20727870e-32 8.54309342e-01]
 [0.00000000e+00 8.82887777e-17 1.45690658e-01]
 [6.66666667e-01 3.33333333e-01 1.87642675e-01]
 [6.66666667e-01 3.33333333e-01 4.79023992e-01]
 [3.33333333e-01 6.66666667e-01 5.20976008e-01]
 [3.33333333e-01 6.66666667e-01 8.12357325e-01]
 [1.64927658e-01 8.35072342e-01 4.79339513e-01]
 [1.64927658e-01 3.29855316e-01 4.79339513e-01]
 [6.70144684e-01 8.35072342e-01 4.79339513e-01]
 [8.35072342e-01 1.64927658e-01 5.20660487e-01]
 [3.29855316e-01 1.64927658e-01 5.20660487e-01]
 [8.35072342e-01 6.70144684e-01 5.20660487e-01]
 [8.31594325e-01 1.68405675e-01 8.12672847e-01]
 [8.31594325e-01 6.63188650e-01 8.12672847e-01]
 [3.36811350e-01 1.68405675e-01 8.12672847e-01]
 [5.01739008e-01 4.98260992e-01 8.53993820e-01]
 [9.96521983e-01 4.98260992e-01 8.53993820e-01]
 [5.01739008e-01 3.47801688e-03 8.53993820e-01]
 [4.98260992e-01 5.01739008e-01 1.46006180e-01]
 [4.98260992e-01 9.96521983e-01 1.46006180e-01]
 [3.47801688e-03 5.01739008e-01 1.46006180e-01]
 [1.68405675e-01 8.31594325e-01 1.87327153e-01]
 [6.63188650e-01 8.31594325e-01 1.87327153e-01]
 [1.68405675e-01 3.36811350e-01 1.87327153e-01]
 [1.08015380e-01 8.91984620e-01 3.73685060e-01]
 [1.08015380e-01 2.16030760e-01 3.73685060e-01]
 [7.83969240e-01 8.91984620e-01 3.73685060e-01]
 [8.91984620e-01 1.08015380e-01 6.26314940e-01]
 [2.16030760e-01 1.08015380e-01 6.26314940e-01]
 [8.91984620e-01 7.83969240e-01 6.26314940e-01]
 [7.74682047e-01 2.25317953e-01 7.07018394e-01]
 [7.74682047e-01 5.49364093e-01 7.07018394e-01]
 [4.50635907e-01 2.25317953e-01 7.07018394e-01]
 [5.58651287e-01 4.41348713e-01 9.59648273e-01]
 [8.82697427e-01 4.41348713e-01 9.59648273e-01]
 [5.58651287e-01 1.17302573e-01 9.59648273e-01]
 [4.41348713e-01 5.58651287e-01 4.03517270e-02]
 [4.41348713e-01 8.82697427e-01 4.03517270e-02]
 [1.17302573e-01 5.58651287e-01 4.03517270e-02]
 [2.25317953e-01 7.74682047e-01 2.92981606e-01]
 [5.49364093e-01 7.74682047e-01 2.92981606e-01]
 [2.25317953e-01 4.50635907e-01 2.92981606e-01]]
cellpar =  Cell([[6.141828910303296, -9.086997887745081e-18, -1.1554247935344777e-32], [-3.070914455151648, 5.3189798620203925, -1.817408046400803e-32], [-1.6501336094616756e-32, -2.3878448697567038e-31, 16.45912942463954]])
forces =  [[-1.41122272e-25  2.08794124e-43 -3.78185354e-25]
 [-5.68732721e-58 -8.22991243e-57  5.67278032e-25]
 [-2.82244544e-25  4.17588249e-43 -3.78185354e-25]
 [ 7.05611361e-26  1.22215473e-25  2.04960781e-09]
 [ 7.05611361e-26 -2.44430946e-25 -2.04960781e-09]
 [-1.41122272e-25 -2.44430946e-25  2.04960781e-09]
 [ 7.05611361e-26 -1.22215473e-25 -2.04960781e-09]
 [-2.10580891e-25 -2.94235819e-41  2.04960781e-09]
 [ 4.22264299e-25 -1.22215473e-25 -2.04960781e-09]
 [ 1.83624656e-09 -1.06015744e-09 -4.03469776e-10]
 [-8.29817000e-26  2.12031489e-09 -4.03469776e-10]
 [-1.83624656e-09 -1.06015744e-09 -4.03469776e-10]
 [-1.83624656e-09  1.06015744e-09  4.03469776e-10]
 [ 1.83624656e-09  1.06015744e-09  4.03469776e-10]
 [ 7.66064522e-25 -2.12031489e-09  4.03469776e-10]
 [ 1.83624656e-09 -1.06015744e-09 -4.03469776e-10]
 [-4.00506813e-25  2.12031489e-09 -4.03469776e-10]
 [-1.83624656e-09 -1.06015744e-09 -4.03469776e-10]
 [-1.83624656e-09  1.06015744e-09  4.03469776e-10]
 [ 1.83624656e-09  1.06015744e-09  4.03469776e-10]
 [ 8.29817000e-26 -2.12031489e-09  4.03469776e-10]
 [ 1.83624656e-09 -1.06015744e-09 -4.03469776e-10]
 [-8.29817000e-26  2.12031489e-09 -4.03469776e-10]
 [-1.83624656e-09 -1.06015744e-09 -4.03469776e-10]
 [-1.83624656e-09  1.06015744e-09  4.03469776e-10]
 [ 1.83624656e-09  1.06015744e-09  4.03469776e-10]
 [ 8.29817000e-26 -2.12031489e-09  4.03469776e-10]
 [-9.39446974e-10  5.42389963e-10  7.49657294e-10]
 [-5.81948528e-26 -1.08477993e-09  7.49657294e-10]
 [ 9.39446974e-10  5.42389963e-10  7.49657294e-10]
 [ 9.39446974e-10 -5.42389963e-10 -7.49657294e-10]
 [-9.39446974e-10 -5.42389963e-10 -7.49657294e-10]
 [ 8.22111512e-26  1.08477993e-09 -7.49657294e-10]
 [-9.39446974e-10  5.42389963e-10  7.49657294e-10]
 [-8.22111512e-26 -1.08477993e-09  7.49657294e-10]
 [ 9.39446974e-10  5.42389963e-10  7.49657294e-10]
 [ 9.39446974e-10 -5.42389963e-10 -7.49657294e-10]
 [-9.39446974e-10 -5.42389963e-10 -7.49657294e-10]
 [ 5.81948528e-26  1.08477993e-09 -7.49657294e-10]
 [-9.39446974e-10  5.42389963e-10  7.49657294e-10]
 [-2.40973707e-25 -1.08477993e-09  7.49657294e-10]
 [ 9.39446974e-10  5.42389963e-10  7.49657294e-10]
 [ 9.39446974e-10 -5.42389963e-10 -7.49657294e-10]
 [-9.39446974e-10 -5.42389963e-10 -7.49657294e-10]
 [ 3.44371284e-25  1.08477993e-09 -7.49657294e-10]]
stress =  [-1.11648663e-10 -1.11648663e-10  9.16327391e-10  1.19099491e-41
  4.86937161e-42  5.80642075e-26]
energy per atom =  -6.125879611013273
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0