element(s): ['B'] AFLOW prototype label: A_tP50_134_a2m2n Parameter names: ['a', 'c/a', 'x2', 'z2', 'x3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['8.8519', '0.55774466', '0.12129004', '0.14232422', '0.0042195408', '0.3254531', '0.079671614', '0.33606782', '0.6547272', '0.97830738', '0.33279554', '0.3386069'] Parameter values for parameter set 1: ['8.6218', '0.58752233', '0.62050686', '0.13377229', '0.50415651', '0.3341878', '0.57867604', '0.83218603', '0.65377966', '0.47734083', '0.83146523', '0.34300915'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'B', 'B', 'B', 'B'] representative atom coordinates = [[0. 0. 0. ] [0.37129004 0.37129004 0.39232422] [0.25421954 0.25421954 0.5754531 ] [0.82967161 0.58606782 0.4047272 ] [0.72830738 0.58279554 0.0886069 ]] spacegroup = 134 cell = [[8.8519, 0, 0], [0, 8.8519, 0], [0, 0, 4.9371]] ========================================= Step Time Energy fmax BFGS: 0 17:52:35 -516.656254 10.5553 BFGS: 1 17:52:35 -530.691462 9.5117 BFGS: 2 17:52:36 -534.921025 8.9219 BFGS: 3 17:52:36 -537.278313 8.2674 BFGS: 4 17:52:36 -539.059298 7.9433 BFGS: 5 17:52:36 -540.517266 7.6175 BFGS: 6 17:52:36 -541.806324 7.3942 BFGS: 7 17:52:36 -542.994309 7.2173 BFGS: 8 17:52:36 -544.116313 7.0534 BFGS: 9 17:52:36 -545.200810 6.9356 BFGS: 10 17:52:37 -546.254400 6.8141 BFGS: 11 17:52:37 -547.287464 6.7135 BFGS: 12 17:52:37 -548.306836 6.6234 BFGS: 13 17:52:37 -549.316088 6.5383 BFGS: 14 17:52:38 -550.319062 6.4681 BFGS: 15 17:52:38 -551.316404 6.3971 BFGS: 16 17:52:38 -552.310628 6.3350 BFGS: 17 17:52:38 -553.301137 6.2696 BFGS: 18 17:52:38 -554.289700 6.2111 BFGS: 19 17:52:38 -555.276155 6.1559 BFGS: 20 17:52:38 -556.261138 6.1012 BFGS: 21 17:52:39 -557.244155 6.0448 BFGS: 22 17:52:39 -558.226227 5.9954 BFGS: 23 17:52:39 -559.206632 5.9414 BFGS: 24 17:52:39 -560.186323 5.8916 BFGS: 25 17:52:40 -561.165143 5.8387 BFGS: 26 17:52:40 -562.143223 5.7918 BFGS: 27 17:52:40 -563.120473 5.7384 BFGS: 28 17:52:40 -564.097153 5.6898 BFGS: 29 17:52:41 -565.072856 5.6389 BFGS: 30 17:52:41 -566.048502 5.5885 BFGS: 31 17:52:41 -567.023763 5.5344 BFGS: 32 17:52:41 -567.999984 5.4849 BFGS: 33 17:52:42 -568.977107 5.4301 BFGS: 34 17:52:42 -569.956014 5.3804 BFGS: 35 17:52:42 -570.936321 5.3255 BFGS: 36 17:52:42 -571.919525 5.2756 BFGS: 37 17:52:43 -572.905158 5.2218 BFGS: 38 17:52:43 -573.893988 5.1728 BFGS: 39 17:52:44 -574.883505 5.1207 BFGS: 40 17:52:44 -575.873855 5.0715 BFGS: 41 17:52:45 -576.864161 5.0207 BFGS: 42 17:52:45 -577.853896 4.9728 BFGS: 43 17:52:45 -578.842344 4.9228 BFGS: 44 17:52:45 -579.829731 4.8744 BFGS: 45 17:52:46 -580.815492 4.8253 BFGS: 46 17:52:46 -581.799766 4.7793 BFGS: 47 17:52:47 -582.782523 4.7305 BFGS: 48 17:52:47 -583.763765 4.6819 BFGS: 49 17:52:47 -584.743646 4.6335 BFGS: 50 17:52:48 -585.722449 4.5883 BFGS: 51 17:52:48 -586.700330 4.5403 BFGS: 52 17:52:49 -587.677716 4.4930 BFGS: 53 17:52:49 -588.655846 4.4541 BFGS: 54 17:52:49 -589.633693 4.4278 BFGS: 55 17:52:49 -590.612781 4.4125 BFGS: 56 17:52:49 -591.592477 4.3945 BFGS: 57 17:52:49 -592.573094 4.3820 BFGS: 58 17:52:50 -593.557699 4.3675 BFGS: 59 17:52:50 -594.544069 4.3434 BFGS: 60 17:52:50 -595.533030 4.3577 BFGS: 61 17:52:50 -596.523144 4.3594 BFGS: 62 17:52:51 -597.520374 4.3428 BFGS: 63 17:52:51 -598.521902 4.3278 BFGS: 64 17:52:51 -599.529222 4.3223 BFGS: 65 17:52:52 -600.543348 4.4413 BFGS: 66 17:52:52 -601.564740 4.7234 BFGS: 67 17:52:52 -602.593950 5.0157 BFGS: 68 17:52:53 -603.632152 5.2801 BFGS: 69 17:52:53 -604.680134 5.6020 BFGS: 70 17:52:53 -605.630098 6.2853 BFGS: 71 17:52:54 -606.723226 6.5425 BFGS: 72 17:52:54 -607.808869 6.8100 BFGS: 73 17:52:54 -608.916227 7.0862 BFGS: 74 17:52:54 -610.037085 7.3441 BFGS: 75 17:52:55 -611.176985 7.6179 BFGS: 76 17:52:55 -612.333365 7.8666 BFGS: 77 17:52:55 -613.510578 8.1436 BFGS: 78 17:52:55 -614.707241 8.3767 BFGS: 79 17:52:55 -615.927837 8.6702 BFGS: 80 17:52:56 -617.169830 8.8591 BFGS: 81 17:52:56 -618.440648 9.2494 BFGS: 82 17:52:56 -619.675121 10.2331 BFGS: 83 17:52:57 -621.002864 10.4413 BFGS: 84 17:52:57 -622.353644 10.6607 BFGS: 85 17:52:58 -623.739695 10.8690 BFGS: 86 17:52:58 -625.156854 11.0788 BFGS: 87 17:52:58 -626.609587 11.2808 BFGS: 88 17:52:59 -628.097907 11.4821 BFGS: 89 17:52:59 -629.624879 11.6762 BFGS: 90 17:52:59 -631.191349 11.8661 BFGS: 91 17:53:00 -632.800410 12.0427 BFGS: 92 17:53:00 -634.454544 12.2193 BFGS: 93 17:53:00 -636.155407 12.3820 BFGS: 94 17:53:01 -637.906472 12.5353 BFGS: 95 17:53:01 -639.709348 12.6780 BFGS: 96 17:53:01 -641.567522 12.8073 BFGS: 97 17:53:02 -643.484110 12.9217 BFGS: 98 17:53:02 -645.462644 13.0180 BFGS: 99 17:53:03 -647.507353 13.1006 BFGS: 100 17:53:03 -649.622693 13.1560 BFGS: 101 17:53:03 -651.813011 13.1997 BFGS: 102 17:53:04 -654.085116 13.2021 BFGS: 103 17:53:04 -656.443063 13.2002 BFGS: 104 17:53:04 -658.894445 13.1390 BFGS: 105 17:53:04 -661.444942 13.0752 BFGS: 106 17:53:05 -664.104189 12.9452 BFGS: 107 17:53:05 -666.880603 12.8076 BFGS: 108 17:53:05 -669.782223 12.5978 BFGS: 109 17:53:06 -672.816917 12.3900 BFGS: 110 17:53:06 -675.995345 12.0865 BFGS: 111 17:53:06 -679.323838 11.8141 BFGS: 112 17:53:07 -682.814346 11.4036 BFGS: 113 17:53:07 -686.462234 11.0692 BFGS: 114 17:53:07 -690.272688 10.5546 BFGS: 115 17:53:07 -694.232818 10.1894 BFGS: 116 17:53:08 -698.342918 9.6902 BFGS: 117 17:53:08 -702.562063 9.9215 BFGS: 118 17:53:08 -706.874882 10.3755 BFGS: 119 17:53:09 -711.206260 10.8532 BFGS: 120 17:53:09 -715.540741 11.2282 BFGS: 121 17:53:09 -719.844820 11.6619 BFGS: 122 17:53:09 -724.055715 12.0823 BFGS: 123 17:53:10 -728.131976 12.4794 BFGS: 124 17:53:10 -732.053623 12.8623 BFGS: 125 17:53:10 -735.811957 13.2219 BFGS: 126 17:53:11 -739.410245 13.5605 BFGS: 127 17:53:11 -742.861465 13.8829 BFGS: 128 17:53:11 -746.183763 14.1921 BFGS: 129 17:53:11 -749.398540 14.4834 BFGS: 130 17:53:12 -752.527516 14.7630 BFGS: 131 17:53:12 -755.587258 15.0230 BFGS: 132 17:53:12 -758.597919 15.2755 BFGS: 133 17:53:13 -761.573439 15.5165 BFGS: 134 17:53:13 -764.526301 15.7509 BFGS: 135 17:53:13 -767.467514 15.9717 BFGS: 136 17:53:14 -770.407611 16.1875 BFGS: 137 17:53:14 -773.352853 16.3896 BFGS: 138 17:53:14 -776.344834 16.5937 BFGS: 139 17:53:15 -779.394367 16.7986 BFGS: 140 17:53:15 -782.519230 16.9993 BFGS: 141 17:53:15 -785.726049 17.1883 BFGS: 142 17:53:16 -789.034960 17.3831 BFGS: 143 17:53:16 -792.458633 17.5646 BFGS: 144 17:53:17 -796.019126 17.7361 BFGS: 145 17:53:17 -799.736582 17.8982 BFGS: 146 17:53:17 -803.636765 18.0483 BFGS: 147 17:53:18 -807.752934 18.1871 BFGS: 148 17:53:18 -812.122594 18.3166 BFGS: 149 17:53:18 -816.787135 18.4287 BFGS: 150 17:53:19 -821.802214 18.5281 BFGS: 151 17:53:19 -827.214066 18.6011 BFGS: 152 17:53:19 -833.098365 18.6495 BFGS: 153 17:53:20 -839.490448 18.6562 BFGS: 154 17:53:20 -846.342213 18.5942 BFGS: 155 17:53:20 -850.315430 18.5242 BFGS: 156 17:53:21 -855.060211 18.4185 BFGS: 157 17:53:21 -859.091981 18.2775 BFGS: 158 17:53:21 -862.897940 18.1073 BFGS: 159 17:53:22 -866.654548 17.8721 BFGS: 160 17:53:22 -870.341341 17.5675 BFGS: 161 17:53:22 -873.685700 17.1933 BFGS: 162 17:53:23 -876.547730 16.8101 BFGS: 163 17:53:23 -878.893445 16.4428 BFGS: 164 17:53:23 -880.846573 16.1157 BFGS: 165 17:53:24 -882.478902 15.8219 BFGS: 166 17:53:24 -883.937295 15.5691 BFGS: 167 17:53:24 -885.213560 15.3388 BFGS: 168 17:53:24 -886.386608 15.1284 BFGS: 169 17:53:25 -887.471153 14.9405 BFGS: 170 17:53:25 -888.492116 14.7646 BFGS: 171 17:53:25 -889.467771 14.6021 BFGS: 172 17:53:26 -890.412244 14.4503 BFGS: 173 17:53:26 -891.337470 14.3059 BFGS: 174 17:53:26 -892.256008 14.1686 BFGS: 175 17:53:27 -893.180687 14.0356 BFGS: 176 17:53:27 -894.128532 13.9031 BFGS: 177 17:53:27 -895.126761 13.7728 BFGS: 178 17:53:28 -896.219285 13.6434 BFGS: 179 17:53:28 -897.494779 13.4980 BFGS: 180 17:53:28 -899.130898 13.3181 BFGS: 181 17:53:29 -900.779864 13.1116 BFGS: 182 17:53:29 -902.353034 12.8902 BFGS: 183 17:53:29 -903.888347 12.6538 BFGS: 184 17:53:30 -905.401861 12.3969 BFGS: 185 17:53:30 -906.906392 12.1212 BFGS: 186 17:53:30 -908.405661 11.8281 BFGS: 187 17:53:31 -909.899090 11.5132 BFGS: 188 17:53:31 -911.387601 11.1731 BFGS: 189 17:53:31 -912.814965 10.8310 BFGS: 190 17:53:32 -914.148589 10.4867 BFGS: 191 17:53:32 -915.399922 10.1365 BFGS: 192 17:53:32 -916.581651 9.7892 BFGS: 193 17:53:33 -917.702714 9.4360 BFGS: 194 17:53:33 -918.768498 9.0731 BFGS: 195 17:53:33 -919.780633 8.7039 BFGS: 196 17:53:33 -920.739749 8.3283 BFGS: 197 17:53:34 -921.645579 7.9511 BFGS: 198 17:53:34 -922.496736 7.7330 BFGS: 199 17:53:34 -923.292734 7.5219 BFGS: 200 17:53:35 -924.031292 7.3069 BFGS: 201 17:53:35 -924.711661 7.0852 BFGS: 202 17:53:35 -925.334310 6.8655 BFGS: 203 17:53:36 -925.900662 6.6370 BFGS: 204 17:53:36 -926.411891 6.4020 BFGS: 205 17:53:36 -926.869423 6.1665 BFGS: 206 17:53:37 -927.277409 5.9249 BFGS: 207 17:53:37 -927.638390 5.6856 BFGS: 208 17:53:37 -927.956311 5.4408 BFGS: 209 17:53:38 -928.234812 5.1933 BFGS: 210 17:53:38 -928.478493 4.9499 BFGS: 211 17:53:39 -928.692038 4.8343 BFGS: 212 17:53:39 -928.879750 4.9732 BFGS: 213 17:53:39 -929.045862 5.0782 BFGS: 214 17:53:39 -929.194052 5.1830 BFGS: 215 17:53:40 -929.327896 5.2316 BFGS: 216 17:53:40 -929.449887 5.3016 BFGS: 217 17:53:40 -929.562871 5.3013 BFGS: 218 17:53:41 -929.668664 5.3273 BFGS: 219 17:53:41 -929.769327 5.2964 BFGS: 220 17:53:41 -929.865964 5.2667 BFGS: 221 17:53:42 -929.960010 5.2029 BFGS: 222 17:53:42 -930.052317 5.1288 BFGS: 223 17:53:43 -930.143683 5.0283 BFGS: 224 17:53:43 -930.235229 4.9125 BFGS: 225 17:53:43 -930.327901 4.7725 BFGS: 226 17:53:44 -930.424532 4.6190 BFGS: 227 17:53:44 -930.525449 4.4348 BFGS: 228 17:53:44 -930.640552 4.2489 BFGS: 229 17:53:44 -930.761499 3.9645 BFGS: 230 17:53:45 -930.973847 4.1735 BFGS: 231 17:53:45 -931.145769 4.0574 BFGS: 232 17:53:45 -931.311951 3.8940 BFGS: 233 17:53:46 -931.473439 3.7203 BFGS: 234 17:53:46 -931.628452 3.5347 BFGS: 235 17:53:46 -931.777609 3.3489 BFGS: 236 17:53:47 -931.920293 3.1550 BFGS: 237 17:53:47 -932.056918 2.9621 BFGS: 238 17:53:47 -932.187270 2.7633 BFGS: 239 17:53:48 -932.311940 2.5675 BFGS: 240 17:53:48 -932.430563 2.3658 BFGS: 241 17:53:48 -932.543953 2.1669 BFGS: 242 17:53:48 -932.651880 1.9626 BFGS: 243 17:53:49 -932.754671 1.7640 BFGS: 244 17:53:49 -932.852657 1.5630 BFGS: 245 17:53:49 -932.946235 1.3641 BFGS: 246 17:53:50 -933.035488 1.1626 BFGS: 247 17:53:50 -933.120953 1.1633 BFGS: 248 17:53:50 -933.202575 1.1820 BFGS: 249 17:53:51 -933.281516 1.2009 BFGS: 250 17:53:51 -933.357051 1.2289 BFGS: 251 17:53:51 -933.430490 1.2562 BFGS: 252 17:53:51 -933.501633 1.2831 BFGS: 253 17:53:52 -933.570291 1.3122 BFGS: 254 17:53:52 -933.637263 1.3433 BFGS: 255 17:53:52 -933.702400 1.3765 BFGS: 256 17:53:52 -933.766089 1.4112 BFGS: 257 17:53:52 -933.828452 1.4474 BFGS: 258 17:53:53 -933.889658 1.4850 BFGS: 259 17:53:53 -933.949872 1.5237 BFGS: 260 17:53:53 -934.009202 1.6423 BFGS: 261 17:53:54 -934.067771 1.8426 BFGS: 262 17:53:54 -934.125633 2.0445 BFGS: 263 17:53:55 -934.182866 2.2472 BFGS: 264 17:53:55 -934.239474 2.4516 BFGS: 265 17:53:55 -934.295491 2.6570 BFGS: 266 17:53:56 -934.350872 2.8644 BFGS: 267 17:53:56 -934.405620 3.0727 BFGS: 268 17:53:56 -934.459649 3.2831 BFGS: 269 17:53:57 -934.512943 3.4944 BFGS: 270 17:53:57 -934.565386 3.7081 BFGS: 271 17:53:57 -934.617156 3.9204 BFGS: 272 17:53:58 -934.667982 4.1383 BFGS: 273 17:53:58 -934.718088 4.3545 BFGS: 274 17:53:58 -934.767176 4.5743 BFGS: 275 17:53:58 -934.815279 4.7956 BFGS: 276 17:53:58 -934.862599 5.0154 BFGS: 277 17:53:59 -934.909138 5.2386 BFGS: 278 17:53:59 -934.955402 5.4583 BFGS: 279 17:53:59 -935.001487 5.6844 BFGS: 280 17:54:00 -935.048510 5.9010 BFGS: 281 17:54:00 -935.096398 6.1333 BFGS: 282 17:54:00 -935.146999 6.3433 BFGS: 283 17:54:00 -935.200058 6.5795 BFGS: 284 17:54:01 -935.258331 6.7794 BFGS: 285 17:54:01 -935.319065 7.0231 BFGS: 286 17:54:01 -935.388508 7.2090 BFGS: 287 17:54:02 -935.461242 7.4526 BFGS: 288 17:54:02 -935.544798 7.6347 BFGS: 289 17:54:02 -935.633343 7.8629 BFGS: 290 17:54:03 -935.732883 8.0536 BFGS: 291 17:54:03 -935.839450 8.2650 BFGS: 292 17:54:03 -935.955852 8.4624 BFGS: 293 17:54:04 -936.080908 8.6603 BFGS: 294 17:54:04 -936.215268 8.8515 BFGS: 295 17:54:04 -936.357837 9.0458 BFGS: 296 17:54:05 -936.508548 9.2331 BFGS: 297 17:54:05 -936.664828 9.4234 BFGS: 298 17:54:05 -936.829599 9.6036 BFGS: 299 17:54:06 -936.998316 9.7933 BFGS: 300 17:54:06 -937.175007 9.9717 BFGS: 301 17:54:06 -937.355182 10.1547 BFGS: 302 17:54:07 -937.541818 10.3306 BFGS: 303 17:54:07 -937.731713 10.5108 BFGS: 304 17:54:07 -937.926378 10.6885 BFGS: 305 17:54:07 -938.125488 10.8670 BFGS: 306 17:54:08 -938.326836 11.0446 BFGS: 307 17:54:08 -938.533522 11.2166 BFGS: 308 17:54:08 -938.741563 11.3927 BFGS: 309 17:54:09 -938.954174 11.5635 BFGS: 310 17:54:09 -939.166816 11.7375 BFGS: 311 17:54:09 -939.384040 11.9029 BFGS: 312 17:54:10 -939.602415 12.0727 BFGS: 313 17:54:10 -939.825053 12.2365 BFGS: 314 17:54:10 -940.048717 12.4023 BFGS: 315 17:54:11 -940.275136 12.5655 BFGS: 316 17:54:11 -940.503302 12.7280 BFGS: 317 17:54:11 -940.734097 12.8875 BFGS: 318 17:54:12 -940.966539 13.0465 BFGS: 319 17:54:12 -941.201605 13.2022 BFGS: 320 17:54:12 -941.438308 13.3574 BFGS: 321 17:54:13 -941.677320 13.5096 BFGS: 322 17:54:13 -941.918568 13.6604 BFGS: 323 17:54:13 -942.162452 13.8054 BFGS: 324 17:54:14 -942.407507 13.9514 BFGS: 325 17:54:14 -942.655456 14.0927 BFGS: 326 17:54:15 -942.904920 14.2327 BFGS: 327 17:54:15 -943.157602 14.3665 BFGS: 328 17:54:15 -943.411502 14.4996 BFGS: 329 17:54:16 -943.669188 14.6244 BFGS: 330 17:54:16 -943.927548 14.7498 BFGS: 331 17:54:16 -944.190728 14.8636 BFGS: 332 17:54:17 -944.452854 14.9827 BFGS: 333 17:54:17 -944.722349 15.0814 BFGS: 334 17:54:17 -944.988788 15.1886 BFGS: 335 17:54:18 -945.263458 15.2744 BFGS: 336 17:54:18 -945.534856 15.3701 BFGS: 337 17:54:18 -945.816068 15.4368 BFGS: 338 17:54:18 -946.090953 15.5217 BFGS: 339 17:54:19 -946.377748 15.5687 BFGS: 340 17:54:19 -946.659854 15.6301 BFGS: 341 17:54:19 -946.952288 15.6610 BFGS: 342 17:54:20 -947.242751 15.6956 BFGS: 343 17:54:20 -947.541746 15.7026 BFGS: 344 17:54:20 -947.840809 15.7061 BFGS: 345 17:54:21 -948.147400 15.6830 BFGS: 346 17:54:21 -948.455574 15.6501 BFGS: 347 17:54:21 -948.770971 15.5893 BFGS: 348 17:54:22 -949.089255 15.5145 BFGS: 349 17:54:22 -949.414803 15.4061 BFGS: 350 17:54:22 -949.742722 15.2795 BFGS: 351 17:54:23 -950.076856 15.1145 BFGS: 352 17:54:23 -950.416488 14.9194 BFGS: 353 17:54:23 -950.756153 14.6813 BFGS: 354 17:54:23 -951.093078 14.4110 BFGS: 355 17:54:24 -951.428097 14.0998 BFGS: 356 17:54:24 -951.764104 13.7408 BFGS: 357 17:54:24 -952.103156 13.3341 BFGS: 358 17:54:25 -952.449748 12.8679 BFGS: 359 17:54:25 -952.809691 12.3385 BFGS: 360 17:54:25 -953.191702 11.7324 BFGS: 361 17:54:25 -953.610066 11.0325 BFGS: 362 17:54:26 -954.089864 10.1964 BFGS: 363 17:54:26 -954.680447 9.1583 BFGS: 364 17:54:26 -955.507406 8.1441 BFGS: 365 17:54:27 -956.543029 8.6737 BFGS: 366 17:54:27 -957.373677 8.8506 BFGS: 367 17:54:27 -958.312384 8.8767 BFGS: 368 17:54:28 -959.253377 8.8057 BFGS: 369 17:54:28 -960.134485 8.6844 BFGS: 370 17:54:28 -960.999551 8.5305 BFGS: 371 17:54:29 -961.860136 8.3579 BFGS: 372 17:54:29 -962.723114 8.1656 BFGS: 373 17:54:29 -963.589991 7.9570 BFGS: 374 17:54:30 -964.460306 7.7375 BFGS: 375 17:54:30 -965.329484 7.5059 BFGS: 376 17:54:31 -966.198989 7.2591 BFGS: 377 17:54:31 -967.066498 7.0019 BFGS: 378 17:54:31 -967.928201 6.7327 BFGS: 379 17:54:31 -968.779210 6.4547 BFGS: 380 17:54:32 -969.617056 6.1605 BFGS: 381 17:54:32 -970.436955 5.8547 BFGS: 382 17:54:32 -971.235352 5.5371 BFGS: 383 17:54:32 -972.009876 5.2070 BFGS: 384 17:54:33 -972.754163 4.8675 BFGS: 385 17:54:33 -973.464001 4.5133 BFGS: 386 17:54:33 -974.137726 4.1464 BFGS: 387 17:54:34 -974.771639 3.7659 BFGS: 388 17:54:34 -975.356541 3.3736 BFGS: 389 17:54:34 -975.889994 2.9691 BFGS: 390 17:54:35 -976.368083 2.5528 BFGS: 391 17:54:35 -976.788081 2.1238 BFGS: 392 17:54:35 -977.145153 1.6830 BFGS: 393 17:54:36 -977.436204 1.2947 BFGS: 394 17:54:36 -977.657764 0.9763 BFGS: 395 17:54:37 -977.806960 0.6764 BFGS: 396 17:54:37 -977.879562 0.5317 BFGS: 397 17:54:37 -977.895166 0.5492 BFGS: 398 17:54:38 -977.924392 0.3998 BFGS: 399 17:54:38 -977.932266 0.1733 BFGS: 400 17:54:38 -977.933704 0.1453 BFGS: 401 17:54:38 -977.933996 0.0516 BFGS: 402 17:54:39 -977.934123 0.0301 BFGS: 403 17:54:39 -977.934262 0.0186 BFGS: 404 17:54:40 -977.934276 0.0105 BFGS: 405 17:54:40 -977.934279 0.0043 BFGS: 406 17:54:40 -977.934280 0.0034 BFGS: 407 17:54:41 -977.934280 0.0018 BFGS: 408 17:54:41 -977.934280 0.0011 BFGS: 409 17:54:41 -977.934280 0.0007 BFGS: 410 17:54:42 -977.934280 0.0003 BFGS: 411 17:54:42 -977.934280 0.0001 BFGS: 412 17:54:43 -977.934280 0.0000 BFGS: 413 17:54:43 -977.934280 0.0000 BFGS: 414 17:54:43 -977.934280 0.0000 BFGS: 415 17:54:44 -977.934280 0.0000 BFGS: 416 17:54:44 -977.934280 0.0000 BFGS: 417 17:54:44 -977.934280 0.0000 BFGS: 418 17:54:45 -977.934280 0.0000 BFGS: 419 17:54:45 -977.934280 0.0000 BFGS: 420 17:54:46 -977.934280 0.0000 BFGS: 421 17:54:46 -977.934280 0.0000 BFGS: 422 17:54:46 -977.934280 0.0000 BFGS: 423 17:54:47 -977.934280 0.0000 BFGS: 424 17:54:47 -977.934280 0.0000 Minimization converged after 424 steps. Maximum force component: 8.868407435354917e-09 eV/Angstrom Maximum stress component: 5.770366997281698e-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', 'B', 'B', 'B', 'B', 'B'] basis = [[0.00000000e+00 5.43474185e-34 2.87413506e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [3.67394587e-01 3.67394587e-01 2.48125851e-01] [6.32605413e-01 6.32605413e-01 2.48125851e-01] [1.32605413e-01 8.67394587e-01 7.48125851e-01] [8.67394587e-01 1.32605413e-01 7.48125851e-01] [6.32605413e-01 3.67394587e-01 7.51874149e-01] [3.67394587e-01 6.32605413e-01 7.51874149e-01] [8.67394587e-01 8.67394587e-01 2.51874149e-01] [1.32605413e-01 1.32605413e-01 2.51874149e-01] [3.67394587e-01 3.67394587e-01 7.51874149e-01] [6.32605413e-01 6.32605413e-01 7.51874149e-01] [1.32605413e-01 8.67394587e-01 2.51874149e-01] [8.67394587e-01 1.32605413e-01 2.51874149e-01] [6.32605413e-01 3.67394587e-01 2.48125851e-01] [3.67394587e-01 6.32605413e-01 2.48125851e-01] [8.67394587e-01 8.67394587e-01 7.48125851e-01] [1.32605413e-01 1.32605413e-01 7.48125851e-01] [8.41265066e-01 5.00000000e-01 2.49633744e-01] [1.58734934e-01 5.00000000e-01 2.49633744e-01] [1.00000000e+00 3.41265066e-01 7.49633744e-01] [6.03226901e-13 6.58734934e-01 7.49633744e-01] [1.58734934e-01 5.00000000e-01 7.50366256e-01] [8.41265066e-01 5.00000000e-01 7.50366256e-01] [6.03228670e-13 3.41265066e-01 2.50366256e-01] [1.00000000e+00 6.58734934e-01 2.50366256e-01] [6.58734934e-01 1.00000000e+00 2.50366256e-01] [3.41265066e-01 6.03170082e-13 2.50366256e-01] [5.00000000e-01 1.58734934e-01 7.50366256e-01] [5.00000000e-01 8.41265066e-01 7.50366256e-01] [3.41265066e-01 1.00000000e+00 7.49633744e-01] [6.58734934e-01 6.03173113e-13 7.49633744e-01] [5.00000000e-01 1.58734934e-01 2.49633744e-01] [5.00000000e-01 8.41265066e-01 2.49633744e-01] [8.21584381e-01 6.79032135e-01 2.18517755e-12] [1.78415619e-01 3.20967865e-01 2.18517594e-12] [8.20967865e-01 3.21584381e-01 5.00000000e-01] [1.79032135e-01 6.78415619e-01 5.00000000e-01] [1.78415619e-01 6.79032135e-01 1.00000000e+00] [8.21584381e-01 3.20967865e-01 1.00000000e+00] [1.79032135e-01 3.21584381e-01 5.00000000e-01] [8.20967865e-01 6.78415619e-01 5.00000000e-01] [6.78415619e-01 8.20967865e-01 5.00000000e-01] [3.21584381e-01 1.79032135e-01 5.00000000e-01] [6.79032135e-01 1.78415619e-01 1.00000000e+00] [3.20967865e-01 8.21584381e-01 1.00000000e+00] [3.21584381e-01 8.20967865e-01 5.00000000e-01] [6.78415619e-01 1.79032135e-01 5.00000000e-01] [3.20967865e-01 1.78415619e-01 2.18516368e-12] [6.79032135e-01 8.21584381e-01 2.18517847e-12]] cellpar = Cell([[7.599207460525562, 4.535290087481074e-35, -8.265008801446398e-37], [-1.619663154841775e-35, 7.5992074605255615, 4.647978418060333e-18], [-1.2673223414979577e-35, 9.970379444930207e-19, 3.342552725005491]]) forces = [[ 7.91497971e-65 -8.99207651e-30 -1.58208550e-29] [-4.77678262e-65 5.99471768e-30 9.22883209e-30] [-6.55150065e-09 -6.55150065e-09 5.08861366e-10] [ 6.55150065e-09 6.55150065e-09 5.08861366e-10] [ 6.55150065e-09 -6.55150065e-09 5.08861366e-10] [-6.55150065e-09 6.55150065e-09 5.08861366e-10] [ 6.55150065e-09 -6.55150065e-09 -5.08861366e-10] [-6.55150065e-09 6.55150065e-09 -5.08861366e-10] [-6.55150065e-09 -6.55150065e-09 -5.08861366e-10] [ 6.55150065e-09 6.55150065e-09 -5.08861366e-10] [ 6.16918261e-09 6.16918261e-09 9.20981746e-10] [-6.16918261e-09 -6.16918261e-09 9.20981746e-10] [-6.16918261e-09 6.16918261e-09 9.20981746e-10] [ 6.16918261e-09 -6.16918261e-09 9.20981746e-10] [-6.16918261e-09 6.16918261e-09 -9.20981746e-10] [ 6.16918261e-09 -6.16918261e-09 -9.20981746e-10] [ 6.16918261e-09 6.16918261e-09 -9.20981746e-10] [-6.16918261e-09 -6.16918261e-09 -9.20981746e-10] [-2.13608259e-09 -6.80238344e-09 8.86840744e-09] [ 2.13608259e-09 6.80238344e-09 8.86840744e-09] [ 6.80238344e-09 -2.13608259e-09 8.86840744e-09] [-6.80238344e-09 2.13608259e-09 8.86840744e-09] [ 2.13608259e-09 -6.80238344e-09 -8.86840744e-09] [-2.13608259e-09 6.80238344e-09 -8.86840744e-09] [-6.80238344e-09 -2.13608259e-09 -8.86840744e-09] [ 6.80238344e-09 2.13608259e-09 -8.86840744e-09] [ 2.13608259e-09 6.80238344e-09 -8.86840744e-09] [-2.13608259e-09 -6.80238344e-09 -8.86840744e-09] [-6.80238344e-09 2.13608259e-09 -8.86840744e-09] [ 6.80238344e-09 -2.13608259e-09 -8.86840744e-09] [-2.13608259e-09 6.80238344e-09 8.86840744e-09] [ 2.13608259e-09 -6.80238344e-09 8.86840744e-09] [ 6.80238344e-09 2.13608259e-09 8.86840744e-09] [-6.80238344e-09 -2.13608259e-09 8.86840744e-09] [-1.10424460e-10 8.69535442e-09 -1.65059527e-09] [ 1.10424460e-10 -8.69535442e-09 -1.65059527e-09] [-8.69535442e-09 -1.10424460e-10 -1.65059527e-09] [ 8.69535442e-09 1.10424460e-10 -1.65059527e-09] [ 1.10424460e-10 8.69535442e-09 1.65059527e-09] [-1.10424460e-10 -8.69535442e-09 1.65059527e-09] [ 8.69535442e-09 -1.10424460e-10 1.65059527e-09] [-8.69535442e-09 1.10424460e-10 1.65059527e-09] [ 1.10424460e-10 -8.69535442e-09 1.65059527e-09] [-1.10424460e-10 8.69535442e-09 1.65059527e-09] [ 8.69535442e-09 1.10424460e-10 1.65059527e-09] [-8.69535442e-09 -1.10424460e-10 1.65059527e-09] [-1.10424460e-10 -8.69535442e-09 -1.65059527e-09] [ 1.10424460e-10 8.69535442e-09 -1.65059527e-09] [-8.69535442e-09 1.10424460e-10 -1.65059527e-09] [ 8.69535442e-09 -1.10424460e-10 -1.65059527e-09]] stress = [-5.77036700e-10 -5.77036700e-10 4.57673419e-11 8.48428689e-28 -2.22139594e-45 1.30196598e-61] energy per atom = -19.55868560812155 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'B', 'B', 'B', 'B'] representative atom coordinates = [[0. 0. 0. ] [0.87050686 0.87050686 0.38377229] [0.75415651 0.75415651 0.5841878 ] [0.32867604 0.08218603 0.40377966] [0.22734083 0.08146523 0.09300915]] spacegroup = 134 cell = [[8.6218, 0, 0], [0, 8.6218, 0], [0, 0, 5.0655]] ========================================= Step Time Energy fmax BFGS: 0 17:54:50 -522.987895 11.1036 BFGS: 1 17:54:51 -536.686559 9.6255 BFGS: 2 17:54:51 -540.145716 9.0409 BFGS: 3 17:54:51 -542.369161 8.6253 BFGS: 4 17:54:51 -544.178142 8.3134 BFGS: 5 17:54:51 -545.750647 8.1361 BFGS: 6 17:54:51 -547.165606 7.9394 BFGS: 7 17:54:52 -548.491949 7.8255 BFGS: 8 17:54:52 -549.754427 7.7085 BFGS: 9 17:54:52 -550.973769 7.6127 BFGS: 10 17:54:52 -552.167991 7.5447 BFGS: 11 17:54:52 -553.340954 7.4758 BFGS: 12 17:54:52 -554.502923 7.4303 BFGS: 13 17:54:52 -555.654148 7.3800 BFGS: 14 17:54:52 -556.799130 7.3431 BFGS: 15 17:54:52 -557.938373 7.3057 BFGS: 16 17:54:52 -559.074267 7.2774 BFGS: 17 17:54:52 -560.206555 7.2469 BFGS: 18 17:54:53 -561.336747 7.2209 BFGS: 19 17:54:53 -562.465366 7.2011 BFGS: 20 17:54:53 -563.592782 7.1772 BFGS: 21 17:54:53 -564.719270 7.1548 BFGS: 22 17:54:53 -565.844687 7.1334 BFGS: 23 17:54:53 -566.969196 7.1126 BFGS: 24 17:54:53 -568.092895 7.0932 BFGS: 25 17:54:54 -569.216392 7.0755 BFGS: 26 17:54:54 -570.339191 7.0581 BFGS: 27 17:54:54 -571.461657 7.0383 BFGS: 28 17:54:55 -572.583806 7.0241 BFGS: 29 17:54:55 -573.707306 7.0062 BFGS: 30 17:54:55 -574.829884 6.9874 BFGS: 31 17:54:55 -575.952287 6.9697 BFGS: 32 17:54:55 -577.074134 6.9526 BFGS: 33 17:54:55 -578.195685 6.9372 BFGS: 34 17:54:56 -579.316810 6.9239 BFGS: 35 17:54:56 -580.437289 6.9092 BFGS: 36 17:54:56 -581.557705 6.8938 BFGS: 37 17:54:56 -582.680053 6.8894 BFGS: 38 17:54:56 -583.802465 6.8698 BFGS: 39 17:54:57 -584.923867 6.8346 BFGS: 40 17:54:57 -586.036016 6.7720 BFGS: 41 17:54:57 -587.198360 6.9017 BFGS: 42 17:54:57 -588.339913 6.9365 BFGS: 43 17:54:58 -589.481297 6.9611 BFGS: 44 17:54:58 -590.622724 6.9856 BFGS: 45 17:54:58 -591.764710 7.0132 BFGS: 46 17:54:59 -592.904139 7.0371 BFGS: 47 17:54:59 -594.031378 7.0430 BFGS: 48 17:54:59 -595.143684 7.0250 BFGS: 49 17:54:59 -596.251981 7.0012 BFGS: 50 17:54:59 -597.357511 6.9772 BFGS: 51 17:55:00 -598.459527 6.9473 BFGS: 52 17:55:00 -599.559122 6.9169 BFGS: 53 17:55:00 -600.655541 6.8843 BFGS: 54 17:55:00 -601.749954 6.8495 BFGS: 55 17:55:01 -602.840407 6.8128 BFGS: 56 17:55:01 -603.927703 6.7773 BFGS: 57 17:55:01 -605.009701 6.7372 BFGS: 58 17:55:01 -606.087845 6.6967 BFGS: 59 17:55:02 -607.161122 6.7306 BFGS: 60 17:55:02 -608.228840 6.7975 BFGS: 61 17:55:02 -609.290902 6.8541 BFGS: 62 17:55:02 -610.346731 6.9064 BFGS: 63 17:55:03 -611.396141 6.9473 BFGS: 64 17:55:03 -612.438549 6.9857 BFGS: 65 17:55:03 -613.473819 7.0104 BFGS: 66 17:55:04 -614.501337 7.0361 BFGS: 67 17:55:04 -615.521073 7.0439 BFGS: 68 17:55:04 -616.532341 7.0587 BFGS: 69 17:55:04 -617.535341 7.0494 BFGS: 70 17:55:05 -618.529285 7.0547 BFGS: 71 17:55:05 -619.513917 7.0293 BFGS: 72 17:55:05 -620.490255 7.0225 BFGS: 73 17:55:05 -621.457962 6.9867 BFGS: 74 17:55:06 -622.418013 6.9721 BFGS: 75 17:55:06 -623.372132 6.9353 BFGS: 76 17:55:06 -624.319275 6.9157 BFGS: 77 17:55:07 -625.266089 6.8817 BFGS: 78 17:55:07 -626.208289 6.8597 BFGS: 79 17:55:07 -627.163378 6.8440 BFGS: 80 17:55:07 -628.168609 6.8967 BFGS: 81 17:55:07 -629.175325 6.9183 BFGS: 82 17:55:08 -630.172881 6.8037 BFGS: 83 17:55:08 -631.191820 6.9469 BFGS: 84 17:55:08 -632.208405 7.0707 BFGS: 85 17:55:08 -633.223994 7.1915 BFGS: 86 17:55:09 -634.238831 7.3122 BFGS: 87 17:55:09 -635.252514 7.4354 BFGS: 88 17:55:09 -636.263859 7.5567 BFGS: 89 17:55:09 -637.272572 7.6816 BFGS: 90 17:55:10 -638.278575 7.8091 BFGS: 91 17:55:10 -639.282008 7.9398 BFGS: 92 17:55:10 -640.283370 8.0788 BFGS: 93 17:55:10 -641.283214 8.2287 BFGS: 94 17:55:11 -642.281444 8.3874 BFGS: 95 17:55:11 -643.279456 8.5612 BFGS: 96 17:55:11 -644.277177 8.7477 BFGS: 97 17:55:11 -645.275464 8.9476 BFGS: 98 17:55:12 -646.274603 9.1621 BFGS: 99 17:55:12 -647.270285 9.3767 BFGS: 100 17:55:12 -648.181422 9.1236 BFGS: 101 17:55:12 -649.339529 9.8572 BFGS: 102 17:55:12 -650.512112 10.3320 BFGS: 103 17:55:12 -651.811766 11.0079 BFGS: 104 17:55:12 -653.132700 11.5677 BFGS: 105 17:55:12 -654.497326 12.1023 BFGS: 106 17:55:12 -655.939245 12.6197 BFGS: 107 17:55:13 -657.494528 13.0312 BFGS: 108 17:55:13 -659.180198 13.5427 BFGS: 109 17:55:13 -660.707725 13.3998 BFGS: 110 17:55:13 -662.222694 13.2312 BFGS: 111 17:55:13 -664.624297 13.9329 BFGS: 112 17:55:13 -667.743130 17.1806 BFGS: 113 17:55:13 -670.836696 20.7620 BFGS: 114 17:55:13 -674.057101 24.2864 BFGS: 115 17:55:13 -677.643753 27.3832 BFGS: 116 17:55:13 -682.025501 29.4550 BFGS: 117 17:55:13 -687.553480 29.6468 BFGS: 118 17:55:13 -693.829931 27.8452 BFGS: 119 17:55:13 -700.736701 24.3281 BFGS: 120 17:55:13 -707.973094 19.6411 BFGS: 121 17:55:13 -715.162217 17.2026 BFGS: 122 17:55:14 -720.636339 15.4064 BFGS: 123 17:55:14 -724.837050 13.8318 BFGS: 124 17:55:14 -728.536707 12.7900 BFGS: 125 17:55:14 -732.047591 13.3480 BFGS: 126 17:55:14 -735.467086 13.8846 BFGS: 127 17:55:14 -738.763661 14.3931 BFGS: 128 17:55:14 -741.525044 14.8098 BFGS: 129 17:55:14 -743.544924 15.1038 BFGS: 130 17:55:14 -745.117283 15.3146 BFGS: 131 17:55:14 -746.422895 15.4784 BFGS: 132 17:55:14 -747.563934 15.6074 BFGS: 133 17:55:14 -748.597848 15.7118 BFGS: 134 17:55:14 -749.559267 15.7952 BFGS: 135 17:55:14 -750.468080 15.8680 BFGS: 136 17:55:14 -751.336062 15.9320 BFGS: 137 17:55:14 -752.171089 15.9856 BFGS: 138 17:55:14 -752.978859 16.0297 BFGS: 139 17:55:15 -753.763136 16.0639 BFGS: 140 17:55:15 -754.527669 16.0956 BFGS: 141 17:55:15 -755.273504 16.1228 BFGS: 142 17:55:15 -756.003250 16.1431 BFGS: 143 17:55:15 -756.718910 16.1608 BFGS: 144 17:55:15 -757.421430 16.1719 BFGS: 145 17:55:15 -758.112484 16.1789 BFGS: 146 17:55:16 -758.794343 16.1824 BFGS: 147 17:55:16 -759.467295 16.1827 BFGS: 148 17:55:16 -760.132480 16.1795 BFGS: 149 17:55:16 -760.791186 16.1732 BFGS: 150 17:55:17 -761.444416 16.1620 BFGS: 151 17:55:17 -762.093551 16.1503 BFGS: 152 17:55:17 -762.738564 16.1359 BFGS: 153 17:55:17 -763.380177 16.1189 BFGS: 154 17:55:18 -764.019031 16.0994 BFGS: 155 17:55:18 -764.655725 16.0775 BFGS: 156 17:55:18 -765.290821 16.0532 BFGS: 157 17:55:18 -765.924935 16.0273 BFGS: 158 17:55:18 -766.557879 15.9981 BFGS: 159 17:55:19 -767.190704 15.9667 BFGS: 160 17:55:19 -767.824026 15.9347 BFGS: 161 17:55:19 -768.458265 15.8984 BFGS: 162 17:55:19 -769.093805 15.8596 BFGS: 163 17:55:20 -769.731097 15.8182 BFGS: 164 17:55:20 -770.370606 15.7709 BFGS: 165 17:55:20 -771.013275 15.7239 BFGS: 166 17:55:20 -771.658716 15.6739 BFGS: 167 17:55:21 -772.307298 15.6208 BFGS: 168 17:55:21 -772.959293 15.5670 BFGS: 169 17:55:21 -773.615069 15.5068 BFGS: 170 17:55:21 -774.274416 15.4430 BFGS: 171 17:55:22 -774.937475 15.3721 BFGS: 172 17:55:22 -775.604520 15.3001 BFGS: 173 17:55:22 -776.274821 15.2235 BFGS: 174 17:55:23 -776.948035 15.1423 BFGS: 175 17:55:23 -777.623866 15.0601 BFGS: 176 17:55:23 -778.301487 14.9703 BFGS: 177 17:55:23 -778.980515 14.8738 BFGS: 178 17:55:23 -779.659811 14.7725 BFGS: 179 17:55:24 -780.337688 14.6653 BFGS: 180 17:55:24 -781.013713 14.5531 BFGS: 181 17:55:24 -781.687214 14.4409 BFGS: 182 17:55:25 -782.357032 14.3185 BFGS: 183 17:55:25 -783.023158 14.1953 BFGS: 184 17:55:25 -783.684451 14.0678 BFGS: 185 17:55:25 -784.341625 13.9323 BFGS: 186 17:55:26 -784.994005 13.7932 BFGS: 187 17:55:26 -785.641603 13.6517 BFGS: 188 17:55:26 -786.284866 13.5072 BFGS: 189 17:55:26 -786.923842 13.3622 BFGS: 190 17:55:27 -787.559986 13.2130 BFGS: 191 17:55:27 -788.193761 13.0619 BFGS: 192 17:55:27 -788.826079 12.9092 BFGS: 193 17:55:27 -789.458021 12.7550 BFGS: 194 17:55:28 -790.090457 12.5997 BFGS: 195 17:55:28 -790.724488 12.4431 BFGS: 196 17:55:28 -791.360941 12.2855 BFGS: 197 17:55:28 -792.000910 12.1267 BFGS: 198 17:55:28 -792.645102 11.9671 BFGS: 199 17:55:29 -793.294971 11.9097 BFGS: 200 17:55:29 -793.950446 11.8932 BFGS: 201 17:55:29 -794.612563 11.8569 BFGS: 202 17:55:29 -795.281660 11.8451 BFGS: 203 17:55:30 -795.959343 11.7962 BFGS: 204 17:55:30 -796.645102 11.7937 BFGS: 205 17:55:30 -797.340519 11.7196 BFGS: 206 17:55:30 -798.043820 11.7381 BFGS: 207 17:55:30 -798.759331 11.6142 BFGS: 208 17:55:30 -799.481544 11.6748 BFGS: 209 17:55:30 -800.217119 11.5232 BFGS: 210 17:55:30 -800.958000 11.5565 BFGS: 211 17:55:31 -801.713840 11.5771 BFGS: 212 17:55:31 -802.476755 11.5559 BFGS: 213 17:55:31 -803.254802 11.5640 BFGS: 214 17:55:31 -804.042512 11.5166 BFGS: 215 17:55:32 -804.845505 11.4771 BFGS: 216 17:55:32 -805.660749 11.3884 BFGS: 217 17:55:32 -806.490570 11.2964 BFGS: 218 17:55:32 -807.333837 11.1603 BFGS: 219 17:55:32 -808.192209 11.0108 BFGS: 220 17:55:32 -809.062167 10.8131 BFGS: 221 17:55:33 -809.948505 10.5928 BFGS: 222 17:55:33 -810.849627 10.3141 BFGS: 223 17:55:33 -811.767451 10.0102 BFGS: 224 17:55:33 -812.700401 9.6284 BFGS: 225 17:55:34 -813.652957 9.2166 BFGS: 226 17:55:34 -814.621604 8.8042 BFGS: 227 17:55:34 -815.617423 8.2261 BFGS: 228 17:55:34 -816.632090 7.9656 BFGS: 229 17:55:34 -817.697542 7.4630 BFGS: 230 17:55:35 -818.777212 7.5413 BFGS: 231 17:55:35 -819.942468 6.5340 BFGS: 232 17:55:35 -820.511551 7.6469 BFGS: 233 17:55:35 -821.097718 6.6573 BFGS: 234 17:55:36 -821.609196 6.3553 BFGS: 235 17:55:36 -822.088424 6.1208 BFGS: 236 17:55:36 -822.540793 5.9160 BFGS: 237 17:55:36 -822.964775 5.7031 BFGS: 238 17:55:36 -823.359335 5.4984 BFGS: 239 17:55:36 -823.722727 5.2879 BFGS: 240 17:55:36 -824.053423 5.0785 BFGS: 241 17:55:37 -824.350219 4.8622 BFGS: 242 17:55:37 -824.612314 4.7172 BFGS: 243 17:55:37 -824.839313 4.8246 BFGS: 244 17:55:37 -825.031414 4.9234 BFGS: 245 17:55:37 -825.188642 5.0222 BFGS: 246 17:55:37 -825.312448 5.1212 BFGS: 247 17:55:37 -825.404354 5.2177 BFGS: 248 17:55:37 -825.467533 5.3114 BFGS: 249 17:55:37 -825.507092 5.4075 BFGS: 250 17:55:37 -825.524790 5.4639 BFGS: 251 17:55:37 -825.539339 5.5405 BFGS: 252 17:55:37 -825.547898 5.5871 BFGS: 253 17:55:38 -825.565799 5.6805 BFGS: 254 17:55:38 -825.581752 5.7563 BFGS: 255 17:55:38 -825.593456 5.7975 BFGS: 256 17:55:38 -825.599788 5.8037 BFGS: 257 17:55:38 -825.606478 5.7988 BFGS: 258 17:55:38 -825.617542 5.7906 BFGS: 259 17:55:39 -825.632539 5.7900 BFGS: 260 17:55:39 -825.644240 5.8055 BFGS: 261 17:55:39 -825.649247 5.8227 BFGS: 262 17:55:39 -825.650791 5.8321 BFGS: 263 17:55:39 -825.651485 5.8383 BFGS: 264 17:55:40 -825.651569 5.8384 BFGS: 265 17:55:40 -825.651761 5.8351 BFGS: 266 17:55:40 -825.651920 5.8309 BFGS: 267 17:55:40 -825.652398 5.8192 BFGS: 268 17:55:40 -825.653315 5.8026 BFGS: 269 17:55:40 -825.655658 5.7734 BFGS: 270 17:55:40 -825.661262 5.7278 BFGS: 271 17:55:41 -825.675730 5.6525 BFGS: 272 17:55:41 -825.712698 5.5302 BFGS: 273 17:55:41 -825.808523 5.3270 BFGS: 274 17:55:41 -826.052737 4.9878 BFGS: 275 17:55:41 -826.434910 4.6722 BFGS: 276 17:55:42 -826.847921 4.4642 BFGS: 277 17:55:42 -827.285795 4.3241 BFGS: 278 17:55:42 -827.734687 4.2315 BFGS: 279 17:55:42 -828.182434 4.1735 BFGS: 280 17:55:43 -828.630216 4.1416 BFGS: 281 17:55:43 -829.071024 4.1337 BFGS: 282 17:55:43 -829.503648 4.1477 BFGS: 283 17:55:43 -829.924327 4.1702 BFGS: 284 17:55:44 -830.384333 4.2270 BFGS: 285 17:55:44 -830.928711 4.3301 BFGS: 286 17:55:44 -831.584855 4.4913 BFGS: 287 17:55:44 -832.380351 4.7167 BFGS: 288 17:55:45 -833.343889 5.0195 BFGS: 289 17:55:45 -834.506151 5.3976 BFGS: 290 17:55:45 -835.887386 5.8454 BFGS: 291 17:55:45 -837.502599 6.3573 BFGS: 292 17:55:46 -839.353891 6.9054 BFGS: 293 17:55:46 -841.443487 7.4678 BFGS: 294 17:55:46 -843.760811 8.0184 BFGS: 295 17:55:46 -846.286099 8.5349 BFGS: 296 17:55:46 -848.952858 8.9906 BFGS: 297 17:55:46 -851.680808 9.3574 BFGS: 298 17:55:46 -854.381128 9.6280 BFGS: 299 17:55:46 -856.999338 9.8028 BFGS: 300 17:55:47 -859.525469 9.8952 BFGS: 301 17:55:47 -862.026117 9.9366 BFGS: 302 17:55:47 -864.469803 9.9350 BFGS: 303 17:55:47 -866.863361 9.9103 BFGS: 304 17:55:48 -868.734749 9.8358 BFGS: 305 17:55:48 -871.008092 9.8028 BFGS: 306 17:55:48 -872.916298 9.7518 BFGS: 307 17:55:48 -874.688930 9.6998 BFGS: 308 17:55:49 -876.308504 9.6500 BFGS: 309 17:55:49 -877.784155 9.5976 BFGS: 310 17:55:49 -879.129447 9.5451 BFGS: 311 17:55:49 -880.358395 9.4927 BFGS: 312 17:55:50 -881.487115 9.4394 BFGS: 313 17:55:50 -882.528553 9.3848 BFGS: 314 17:55:50 -883.495068 9.3328 BFGS: 315 17:55:50 -884.397054 9.2764 BFGS: 316 17:55:50 -885.241652 9.2201 BFGS: 317 17:55:50 -886.037951 9.1706 BFGS: 318 17:55:50 -886.790265 9.1163 BFGS: 319 17:55:50 -887.505494 9.0649 BFGS: 320 17:55:50 -888.190677 9.0155 BFGS: 321 17:55:51 -888.848820 8.9826 BFGS: 322 17:55:51 -889.482842 8.9405 BFGS: 323 17:55:51 -890.097503 8.9073 BFGS: 324 17:55:51 -890.692589 8.8701 BFGS: 325 17:55:51 -891.272653 8.8370 BFGS: 326 17:55:52 -891.840650 8.8132 BFGS: 327 17:55:52 -892.398456 8.7888 BFGS: 328 17:55:52 -892.949801 8.7738 BFGS: 329 17:55:53 -893.495275 8.7597 BFGS: 330 17:55:53 -894.042444 8.7512 BFGS: 331 17:55:53 -894.588523 8.7465 BFGS: 332 17:55:53 -895.141257 8.7430 BFGS: 333 17:55:53 -895.697247 8.7412 BFGS: 334 17:55:53 -896.284791 8.7549 BFGS: 335 17:55:54 -896.900615 8.7888 BFGS: 336 17:55:54 -897.598085 8.8473 BFGS: 337 17:55:54 -898.340463 8.9211 BFGS: 338 17:55:55 -899.269449 9.0523 BFGS: 339 17:55:55 -900.138971 9.2362 BFGS: 340 17:55:55 -901.272245 9.3756 BFGS: 341 17:55:55 -902.105593 9.4589 BFGS: 342 17:55:55 -903.573505 9.6489 BFGS: 343 17:55:56 -905.328158 9.8576 BFGS: 344 17:55:56 -907.417843 10.0835 BFGS: 345 17:55:56 -909.859354 10.3249 BFGS: 346 17:55:56 -912.626089 10.5486 BFGS: 347 17:55:57 -915.661834 10.7478 BFGS: 348 17:55:57 -918.852161 10.9055 BFGS: 349 17:55:57 -922.041983 11.0081 BFGS: 350 17:55:57 -925.049388 11.0503 BFGS: 351 17:55:57 -927.657342 11.0299 BFGS: 352 17:55:58 -930.265313 10.9723 BFGS: 353 17:55:58 -932.822091 10.8702 BFGS: 354 17:55:58 -935.218468 10.7107 BFGS: 355 17:55:58 -937.378833 10.4916 BFGS: 356 17:55:59 -939.230814 10.1987 BFGS: 357 17:55:59 -940.752138 10.0667 BFGS: 358 17:55:59 -941.948428 10.2687 BFGS: 359 17:55:59 -942.878434 10.3897 BFGS: 360 17:56:00 -943.599543 10.4178 BFGS: 361 17:56:00 -944.183088 10.4072 BFGS: 362 17:56:00 -944.659933 10.3015 BFGS: 363 17:56:00 -945.081007 10.2199 BFGS: 364 17:56:00 -945.437703 9.9973 BFGS: 365 17:56:01 -945.775731 9.8503 BFGS: 366 17:56:01 -946.082754 9.6031 BFGS: 367 17:56:01 -946.387732 9.3646 BFGS: 368 17:56:01 -946.694859 9.0892 BFGS: 369 17:56:02 -947.019898 8.8172 BFGS: 370 17:56:02 -947.371653 8.5195 BFGS: 371 17:56:02 -947.763179 8.2176 BFGS: 372 17:56:02 -948.201791 7.9111 BFGS: 373 17:56:02 -948.677606 7.9880 BFGS: 374 17:56:03 -949.250231 8.0633 BFGS: 375 17:56:03 -950.010389 8.0772 BFGS: 376 17:56:03 -951.097274 8.0037 BFGS: 377 17:56:03 -952.676639 7.8136 BFGS: 378 17:56:03 -954.959799 7.4690 BFGS: 379 17:56:03 -958.134714 7.1510 BFGS: 380 17:56:04 -962.290884 8.7347 BFGS: 381 17:56:04 -967.339860 9.6419 BFGS: 382 17:56:04 -972.096691 9.8287 BFGS: 383 17:56:04 -976.489969 9.0497 BFGS: 384 17:56:05 -980.487320 9.5961 BFGS: 385 17:56:05 -984.068407 10.4045 BFGS: 386 17:56:05 -987.252122 11.1786 BFGS: 387 17:56:05 -990.089900 11.9449 BFGS: 388 17:56:05 -992.596781 12.3849 BFGS: 389 17:56:06 -994.794799 12.7590 BFGS: 390 17:56:06 -996.672306 12.9161 BFGS: 391 17:56:06 -998.260746 12.8292 BFGS: 392 17:56:06 -999.586024 12.2937 BFGS: 393 17:56:07 -1000.382049 11.8051 BFGS: 394 17:56:07 -1000.966908 11.2916 BFGS: 395 17:56:07 -1001.508257 10.8789 BFGS: 396 17:56:07 -1002.001235 10.4527 BFGS: 397 17:56:08 -1002.465765 10.0460 BFGS: 398 17:56:08 -1002.888511 9.6330 BFGS: 399 17:56:08 -1003.270351 9.2119 BFGS: 400 17:56:08 -1003.603904 8.7830 BFGS: 401 17:56:09 -1003.890375 8.4883 BFGS: 402 17:56:09 -1004.130469 8.6893 BFGS: 403 17:56:09 -1004.331763 8.8916 BFGS: 404 17:56:09 -1004.503362 9.1029 BFGS: 405 17:56:10 -1004.657921 9.3198 BFGS: 406 17:56:10 -1004.806247 9.5518 BFGS: 407 17:56:10 -1004.959475 9.7945 BFGS: 408 17:56:11 -1005.123521 10.0603 BFGS: 409 17:56:11 -1005.306966 10.3438 BFGS: 410 17:56:11 -1005.514793 10.6707 BFGS: 411 17:56:11 -1005.697546 10.8731 BFGS: 412 17:56:12 -1005.819269 10.8873 BFGS: 413 17:56:12 -1005.897399 10.7258 BFGS: 414 17:56:12 -1005.925752 10.6913 BFGS: 415 17:56:13 -1005.940477 10.6253 BFGS: 416 17:56:13 -1005.949653 10.6314 BFGS: 417 17:56:13 -1005.956555 10.6688 BFGS: 418 17:56:13 -1005.959449 10.7075 BFGS: 419 17:56:14 -1005.960954 10.7513 BFGS: 420 17:56:14 -1005.961390 10.7656 BFGS: 421 17:56:14 -1005.962348 10.8000 BFGS: 422 17:56:15 -1005.963332 10.8197 BFGS: 423 17:56:15 -1005.967502 10.8704 BFGS: 424 17:56:15 -1005.977215 10.9413 BFGS: 425 17:56:15 -1006.003686 11.0565 BFGS: 426 17:56:16 -1006.071825 11.2288 BFGS: 427 17:56:16 -1006.200078 11.3984 BFGS: 428 17:56:17 -1006.392700 11.5291 BFGS: 429 17:56:17 -1006.655494 11.6189 BFGS: 430 17:56:17 -1006.985349 11.6720 BFGS: 431 17:56:17 -1007.375209 11.6926 BFGS: 432 17:56:18 -1007.823607 11.6814 BFGS: 433 17:56:18 -1008.324447 11.6406 BFGS: 434 17:56:18 -1008.874058 11.5701 BFGS: 435 17:56:19 -1009.464240 11.4753 BFGS: 436 17:56:19 -1010.097408 11.3507 BFGS: 437 17:56:19 -1010.763016 11.1997 BFGS: 438 17:56:20 -1011.461460 11.0194 BFGS: 439 17:56:20 -1012.179293 10.8139 BFGS: 440 17:56:20 -1012.910642 10.5820 BFGS: 441 17:56:20 -1013.658837 10.3142 BFGS: 442 17:56:21 -1014.410252 10.0102 BFGS: 443 17:56:21 -1015.151251 9.6682 BFGS: 444 17:56:21 -1015.868452 9.2799 BFGS: 445 17:56:21 -1016.538873 8.8399 BFGS: 446 17:56:21 -1017.132400 8.3178 BFGS: 447 17:56:21 -1017.538434 7.7563 BFGS: 448 17:56:22 -1017.716955 7.2045 BFGS: 449 17:56:22 -1017.767241 7.0863 BFGS: 450 17:56:22 -1017.867263 6.8532 BFGS: 451 17:56:22 -1017.912715 6.7235 BFGS: 452 17:56:23 -1017.933018 6.6842 BFGS: 453 17:56:23 -1017.964603 6.6685 BFGS: 454 17:56:23 -1018.043083 6.6437 BFGS: 455 17:56:24 -1018.231163 6.5546 BFGS: 456 17:56:24 -1018.590292 6.3318 BFGS: 457 17:56:24 -1019.319823 5.7966 BFGS: 458 17:56:24 -1020.085242 5.1788 BFGS: 459 17:56:24 -1020.734897 4.6447 BFGS: 460 17:56:25 -1021.324833 4.1545 BFGS: 461 17:56:25 -1021.863977 3.6878 BFGS: 462 17:56:25 -1022.352058 3.2386 BFGS: 463 17:56:25 -1022.785907 2.8010 BFGS: 464 17:56:26 -1023.162387 2.3771 BFGS: 465 17:56:26 -1023.478743 1.9611 BFGS: 466 17:56:26 -1023.734450 1.5451 BFGS: 467 17:56:27 -1023.928591 1.1254 BFGS: 468 17:56:27 -1024.061288 0.7079 BFGS: 469 17:56:27 -1024.132949 0.2941 BFGS: 470 17:56:27 -1024.147221 0.0225 BFGS: 471 17:56:28 -1024.147252 0.0133 BFGS: 472 17:56:28 -1024.147259 0.0034 BFGS: 473 17:56:28 -1024.147259 0.0013 BFGS: 474 17:56:28 -1024.147259 0.0004 BFGS: 475 17:56:28 -1024.147259 0.0002 BFGS: 476 17:56:28 -1024.147259 0.0001 BFGS: 477 17:56:28 -1024.147259 0.0000 BFGS: 478 17:56:29 -1024.147259 0.0000 BFGS: 479 17:56:29 -1024.147259 0.0000 BFGS: 480 17:56:29 -1024.147259 0.0000 BFGS: 481 17:56:29 -1024.147259 0.0000 BFGS: 482 17:56:30 -1024.147259 0.0000 BFGS: 483 17:56:30 -1024.147259 0.0000 BFGS: 484 17:56:30 -1024.147259 0.0000 BFGS: 485 17:56:30 -1024.147259 0.0000 Minimization converged after 485 steps. Maximum force component: 7.896164835199506e-09 eV/Angstrom Maximum stress component: 1.4332724914868e-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', 'B', 'B', 'B', 'B', 'B'] basis = [[1.03654852e-31 0.00000000e+00 4.09455565e-31] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [8.22912679e-01 8.22912679e-01 5.00000000e-01] [1.77087321e-01 1.77087321e-01 5.00000000e-01] [6.77087321e-01 3.22912679e-01 1.00000000e+00] [3.22912679e-01 6.77087321e-01 1.00000000e+00] [1.77087321e-01 8.22912679e-01 5.00000000e-01] [8.22912679e-01 1.77087321e-01 5.00000000e-01] [3.22912679e-01 3.22912679e-01 1.18137927e-11] [6.77087321e-01 6.77087321e-01 1.18137232e-11] [6.74131300e-01 6.74131300e-01 5.00000000e-01] [3.25868700e-01 3.25868700e-01 5.00000000e-01] [8.25868700e-01 1.74131300e-01 1.36968102e-11] [1.74131300e-01 8.25868700e-01 1.36967758e-11] [3.25868700e-01 6.74131300e-01 5.00000000e-01] [6.74131300e-01 3.25868700e-01 5.00000000e-01] [1.74131300e-01 1.74131300e-01 1.00000000e+00] [8.25868700e-01 8.25868700e-01 1.00000000e+00] [3.89940587e-01 1.10388021e-01 5.00000000e-01] [6.10059413e-01 8.89611979e-01 5.00000000e-01] [3.89611979e-01 8.89940587e-01 1.00000000e+00] [6.10388021e-01 1.10059413e-01 1.00000000e+00] [6.10059413e-01 1.10388021e-01 5.00000000e-01] [3.89940587e-01 8.89611979e-01 5.00000000e-01] [6.10388021e-01 8.89940587e-01 1.16616473e-12] [3.89611979e-01 1.10059413e-01 1.16617778e-12] [1.10059413e-01 3.89611979e-01 1.16618706e-12] [8.89940587e-01 6.10388021e-01 1.16617819e-12] [1.10388021e-01 6.10059413e-01 5.00000000e-01] [8.89611979e-01 3.89940587e-01 5.00000000e-01] [8.89940587e-01 3.89611979e-01 1.00000000e+00] [1.10059413e-01 6.10388021e-01 1.00000000e+00] [8.89611979e-01 6.10059413e-01 5.00000000e-01] [1.10388021e-01 3.89940587e-01 5.00000000e-01] [2.31150559e-01 9.12385283e-13 2.50482897e-01] [7.68849441e-01 1.00000000e+00 2.50482897e-01] [5.00000000e-01 7.31150559e-01 7.50482897e-01] [5.00000000e-01 2.68849441e-01 7.50482897e-01] [7.68849441e-01 9.12380557e-13 7.49517103e-01] [2.31150559e-01 1.00000000e+00 7.49517103e-01] [5.00000000e-01 7.31150559e-01 2.49517103e-01] [5.00000000e-01 2.68849441e-01 2.49517103e-01] [2.68849441e-01 5.00000000e-01 2.49517103e-01] [7.31150559e-01 5.00000000e-01 2.49517103e-01] [9.12461917e-13 7.68849441e-01 7.49517103e-01] [1.00000000e+00 2.31150559e-01 7.49517103e-01] [7.31150559e-01 5.00000000e-01 7.50482897e-01] [2.68849441e-01 5.00000000e-01 7.50482897e-01] [1.00000000e+00 7.68849441e-01 2.50482897e-01] [9.12476714e-13 2.31150559e-01 2.50482897e-01]] cellpar = Cell([[7.519719063419195, -6.396109649562056e-35, -1.3224626999413574e-39], [8.097267715634368e-36, 7.519719063419173, 1.386626278606452e-18], [1.52530015747606e-37, 1.091093564306297e-18, 3.310532386379062]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.70750774e-31 3.15352553e-66 6.52024452e-71] [ 1.20153325e-09 1.20153325e-09 5.62536485e-09] [-1.20153325e-09 -1.20153325e-09 5.62536485e-09] [-1.20153325e-09 1.20153325e-09 5.62536485e-09] [ 1.20153325e-09 -1.20153325e-09 5.62536485e-09] [-1.20153325e-09 1.20153325e-09 -5.62536485e-09] [ 1.20153325e-09 -1.20153325e-09 -5.62536485e-09] [ 1.20153325e-09 1.20153325e-09 -5.62536485e-09] [-1.20153325e-09 -1.20153325e-09 -5.62536485e-09] [-3.72399669e-09 -3.72399669e-09 -6.45449162e-09] [ 3.72399669e-09 3.72399669e-09 -6.45449162e-09] [ 3.72399669e-09 -3.72399669e-09 -6.45449162e-09] [-3.72399669e-09 3.72399669e-09 -6.45449162e-09] [ 3.72399669e-09 -3.72399669e-09 6.45449162e-09] [-3.72399669e-09 3.72399669e-09 6.45449162e-09] [-3.72399669e-09 -3.72399669e-09 6.45449162e-09] [ 3.72399669e-09 3.72399669e-09 6.45449162e-09] [-1.56140874e-09 -7.89616484e-09 2.97846304e-09] [ 1.56140874e-09 7.89616484e-09 2.97846304e-09] [ 7.89616484e-09 -1.56140874e-09 2.97846304e-09] [-7.89616484e-09 1.56140874e-09 2.97846304e-09] [ 1.56140874e-09 -7.89616484e-09 -2.97846304e-09] [-1.56140874e-09 7.89616484e-09 -2.97846304e-09] [-7.89616484e-09 -1.56140874e-09 -2.97846304e-09] [ 7.89616484e-09 1.56140874e-09 -2.97846304e-09] [ 1.56140874e-09 7.89616484e-09 -2.97846304e-09] [-1.56140874e-09 -7.89616484e-09 -2.97846304e-09] [-7.89616484e-09 1.56140874e-09 -2.97846304e-09] [ 7.89616484e-09 -1.56140874e-09 -2.97846304e-09] [-1.56140874e-09 7.89616484e-09 2.97846304e-09] [ 1.56140874e-09 -7.89616484e-09 2.97846304e-09] [ 7.89616484e-09 1.56140874e-09 2.97846304e-09] [-7.89616484e-09 -1.56140874e-09 2.97846304e-09] [-1.50639311e-09 -2.52604531e-09 -1.72794735e-10] [ 1.50639311e-09 2.52604531e-09 -1.72794735e-10] [ 2.52604531e-09 -1.50639311e-09 -1.72794735e-10] [-2.52604531e-09 1.50639311e-09 -1.72794735e-10] [ 1.50639311e-09 -2.52604531e-09 1.72794735e-10] [-1.50639311e-09 2.52604531e-09 1.72794735e-10] [-2.52604531e-09 -1.50639311e-09 1.72794735e-10] [ 2.52604531e-09 1.50639311e-09 1.72794735e-10] [ 1.50639311e-09 2.52604531e-09 1.72794735e-10] [-1.50639311e-09 -2.52604531e-09 1.72794735e-10] [-2.52604531e-09 1.50639311e-09 1.72794735e-10] [ 2.52604531e-09 -1.50639311e-09 1.72794735e-10] [-1.50639311e-09 2.52604531e-09 -1.72794735e-10] [ 1.50639311e-09 -2.52604531e-09 -1.72794735e-10] [ 2.52604531e-09 1.50639311e-09 -1.72794735e-10] [-2.52604531e-09 -1.50639311e-09 -1.72794735e-10]] stress = [ 1.36615355e-10 1.36615355e-10 1.43327249e-10 -1.43768133e-28 -5.01453062e-48 -2.25249229e-62] energy per atom = -20.48294518569365 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_tP50_134_a2m2n, while relaxed is A_tI50_139_almn. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group. Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_tP50_134_a2m2n, while relaxed is A_tI50_139_a2hln. Skipping parameter set 1. No parameter sets in this group successfully added a property instance. Skipping this group.