element(s): ['Si'] AFLOW prototype label: A_mC164_15_e20f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.5153', '0.59626185', '0.38807304', '85.6678', '0.5018589', '0.68877825', '0.96352682', '0.39618647', '0.85290647', '0.066655781', '0.19885487', '0.85161909', '0.93394953', '0.32543919', '0.90872025', '0.95961914', '0.50215183', '0.39194115', '0.3160815', '0.19689941', '0.45947298', '0.2475486', '0.3176402', '0.2268061', '0.13306616', '0.35835738', '0.74433636', '0.76915545', '0.24636872', '0.32359862', '0.22635453', '0.12155393', '0.30617288', '0.092719903', '0.23378721', '0.44585184', '0.099109512', '0.39907312', '0.76670646', '0.88208696', '0.40378522', '0.46313645', '0.74291846', '0.18744694', '0.52487726', '0.65186183', '0.50503416', '0.39433722', '0.67549036', '0.32193311', '0.43434955', '0.610825', '0.50714113', '0.55091352', '0.89443078', '0.35966828', '0.33102234', '0.78459971', '0.3807846', '0.36635198', '0.90960313', '0.26587063', '0.36114403', '0.039715317', '0.39377295'] model name: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.4981411 0.25 ] [0.31122175 0.96352682 0.60381353] [0.14709353 0.06665578 0.80114513] [0.14838091 0.93394953 0.67456081] [0.09127975 0.95961914 0.49784817] [0.60805885 0.3160815 0.80310059] [0.54052702 0.2475486 0.6823598 ] [0.7731939 0.13306616 0.64164262] [0.25566364 0.76915545 0.75363128] [0.67640138 0.22635453 0.87844607] [0.69382712 0.0927199 0.76621279] [0.55414816 0.09910951 0.60092688] [0.23329354 0.88208696 0.59621478] [0.53686355 0.74291846 0.81255306] [0.47512274 0.65186183 0.49496584] [0.60566278 0.67549036 0.67806689] [0.56565045 0.610825 0.49285887] [0.44908648 0.89443078 0.64033172] [0.66897766 0.78459971 0.6192154 ] [0.63364802 0.90960313 0.73412937] [0.63885597 0.03971532 0.60622705]] spacegroup = 15 cell = [[25.5153, 0, 0], [0, 15.2138, 0], [0.74797334784504, 0, 9.8735089563394]] ========================================= Step Time Energy fmax BFGS: 0 10:59:05 -643.927555 4.523986 BFGS: 1 10:59:06 -681.702403 2.394246 BFGS: 2 10:59:07 -683.895282 1.400570 BFGS: 3 10:59:08 -685.289702 0.945289 BFGS: 4 10:59:11 -686.323451 1.029274 BFGS: 5 10:59:15 -636.234126 3.903927 BFGS: 6 10:59:17 -610.230028 4.056989 BFGS: 7 10:59:27 -611.207417 4.215376 BFGS: 8 10:59:36 -585.387250 5.761894 BFGS: 9 10:59:42 -586.142703 5.837749 BFGS: 10 10:59:47 -558.549444 5.602020 BFGS: 11 10:59:50 -560.239982 5.301461 BFGS: 12 10:59:53 -493.543662 5.083064 BFGS: 13 10:59:56 -496.082183 4.543142 BFGS: 14 11:00:01 -498.509486 4.029349 BFGS: 15 11:00:05 -501.141556 3.489009 BFGS: 16 11:00:11 -504.308578 3.069641 BFGS: 17 11:00:18 -560.005238 2.519594 BFGS: 18 11:00:23 -563.177043 2.446184 BFGS: 19 11:00:27 -591.736118 2.885448 BFGS: 20 11:00:30 -594.921773 3.955818 BFGS: 21 11:00:33 -616.475900 2.864061 BFGS: 22 11:00:36 -636.774733 2.712735 BFGS: 23 11:00:39 -639.422068 2.415864 BFGS: 24 11:00:41 -642.468691 2.264999 BFGS: 25 11:00:44 -645.340695 3.054569 BFGS: 26 11:00:47 -664.972803 3.007881 BFGS: 27 11:00:50 -676.179289 3.670118 BFGS: 28 11:00:52 -647.801127 3.812072 BFGS: 29 11:00:54 -649.969974 3.405105 BFGS: 30 11:00:55 -652.041965 2.999636 BFGS: 31 11:00:57 -683.470809 2.503903 BFGS: 32 11:00:59 -702.988639 1.506509 BFGS: 33 11:01:01 -704.264287 1.424044 BFGS: 34 11:01:03 -705.393387 1.315596 BFGS: 35 11:01:04 -638.120929 6.393281 BFGS: 36 11:01:06 -639.090846 6.030620 BFGS: 37 11:01:07 -640.164560 5.673960 BFGS: 38 11:01:09 -641.399203 5.308189 BFGS: 39 11:01:10 -642.768362 4.922063 BFGS: 40 11:01:11 -624.720528 4.443130 BFGS: 41 11:01:14 -626.194689 4.082559 BFGS: 42 11:01:16 -599.041978 4.157229 BFGS: 43 11:01:19 -600.563307 4.061120 BFGS: 44 11:01:23 -629.083049 3.969344 BFGS: 45 11:01:26 -603.415048 3.912311 BFGS: 46 11:01:29 -573.107319 3.848716 BFGS: 47 11:01:30 -564.829524 3.779685 BFGS: 48 11:01:32 -565.780448 3.741047 BFGS: 49 11:01:33 -566.694329 3.718101 BFGS: 50 11:01:35 -593.236169 3.701932 BFGS: 51 11:01:36 -602.712986 3.746843 BFGS: 52 11:01:38 -633.821534 3.776996 BFGS: 53 11:01:40 -661.469698 2.598559 BFGS: 54 11:01:41 -662.126506 3.232908 BFGS: 55 11:01:43 -696.359348 2.672460 BFGS: 56 11:01:44 -686.207648 3.479692 BFGS: 57 11:01:46 -687.283686 3.495287 BFGS: 58 11:01:47 -688.256762 3.471289 BFGS: 59 11:01:48 -666.462803 3.421293 BFGS: 60 11:01:50 -668.172504 2.682643 BFGS: 61 11:01:51 -669.718717 2.963964 BFGS: 62 11:01:53 -653.863947 3.527948 BFGS: 63 11:01:54 -654.876826 3.507912 BFGS: 64 11:01:55 -655.774886 3.309545 BFGS: 65 11:01:56 -607.270136 3.862701 BFGS: 66 11:01:57 -607.885087 3.777039 BFGS: 67 11:01:58 -608.503997 3.688609 BFGS: 68 11:02:01 -627.147281 3.542088 BFGS: 69 11:02:02 -610.399943 3.591328 BFGS: 70 11:02:04 -611.121463 3.618782 BFGS: 71 11:02:05 -611.951805 3.631612 BFGS: 72 11:02:06 -629.779592 3.631753 BFGS: 73 11:02:08 -620.480206 3.614111 BFGS: 74 11:02:09 -671.322227 2.387346 BFGS: 75 11:02:10 -673.886745 3.767564 BFGS: 76 11:02:11 -675.070167 3.799907 BFGS: 77 11:02:12 -698.893451 3.268800 BFGS: 78 11:02:13 -700.275372 2.998815 BFGS: 79 11:02:15 -701.735084 2.648726 BFGS: 80 11:02:16 -704.485973 3.663525 BFGS: 81 11:02:17 -711.008459 2.355653 BFGS: 82 11:02:18 -671.242732 6.693152 BFGS: 83 11:02:19 -672.465522 6.157797 BFGS: 84 11:02:20 -673.724741 5.642343 BFGS: 85 11:02:21 -675.052192 5.134513 BFGS: 86 11:02:22 -676.418486 4.635167 BFGS: 87 11:02:26 -677.807865 4.143949 BFGS: 88 11:02:29 -679.222013 3.655598 BFGS: 89 11:02:31 -671.935545 3.162022 BFGS: 90 11:02:33 -673.735163 2.420871 BFGS: 91 11:02:35 -675.565579 2.055144 BFGS: 92 11:02:38 -709.104051 4.456968 BFGS: 93 11:02:40 -710.542827 4.090173 BFGS: 94 11:02:43 -711.897275 3.633739 BFGS: 95 11:02:46 -713.145724 3.138901 BFGS: 96 11:02:49 -721.345225 2.564909 BFGS: 97 11:02:51 -721.958524 2.167402 BFGS: 98 11:02:54 -713.974009 1.672055 BFGS: 99 11:02:59 -714.493826 1.730060 BFGS: 100 11:03:03 -716.103733 2.123867 BFGS: 101 11:03:07 -716.413622 2.216107 BFGS: 102 11:03:10 -717.259153 2.863620 BFGS: 103 11:03:12 -723.285028 1.029800 BFGS: 104 11:03:14 -723.646922 0.806375 BFGS: 105 11:03:15 -724.030316 1.257893 BFGS: 106 11:03:18 -724.121311 1.360004 BFGS: 107 11:03:20 -716.958508 2.491559 BFGS: 108 11:03:22 -717.301752 2.677055 BFGS: 109 11:03:23 -724.009355 0.754239 BFGS: 110 11:03:25 -724.249637 1.004106 BFGS: 111 11:03:29 -724.492455 1.388714 BFGS: 112 11:03:32 -716.934217 2.376495 BFGS: 113 11:03:33 -717.300529 2.555024 BFGS: 114 11:03:34 -724.310294 0.933110 BFGS: 115 11:03:35 -724.507936 1.174099 BFGS: 116 11:03:37 -717.309147 2.500821 BFGS: 117 11:03:40 -724.655676 1.311251 BFGS: 118 11:03:43 -724.728519 1.364532 BFGS: 119 11:03:44 -717.432177 2.515304 BFGS: 120 11:03:47 -724.822833 1.409064 BFGS: 121 11:03:48 -724.869599 1.426107 BFGS: 122 11:03:49 -717.538176 2.505292 BFGS: 123 11:03:50 -724.970546 1.464846 BFGS: 124 11:03:51 -725.002767 1.480514 BFGS: 125 11:03:52 -725.032047 1.497028 BFGS: 126 11:03:54 -725.059768 1.513519 BFGS: 127 11:03:55 -725.086753 1.529367 BFGS: 128 11:03:57 -725.113441 1.544154 BFGS: 129 11:03:58 -725.140036 1.557632 BFGS: 130 11:04:00 -725.166613 1.569673 BFGS: 131 11:04:01 -725.193178 1.580229 BFGS: 132 11:04:04 -717.723924 2.298196 BFGS: 133 11:04:05 -717.755736 2.291365 BFGS: 134 11:04:07 -717.784136 2.288025 BFGS: 135 11:04:08 -717.810136 2.287726 BFGS: 136 11:04:10 -717.834419 2.290196 BFGS: 137 11:04:11 -717.857480 2.295280 BFGS: 138 11:04:13 -717.879696 2.302901 BFGS: 139 11:04:14 -717.901365 2.313026 BFGS: 140 11:04:15 -717.922730 2.325656 BFGS: 141 11:04:17 -717.943996 2.340810 BFGS: 142 11:04:18 -717.965341 2.358519 BFGS: 143 11:04:19 -717.986914 2.378824 BFGS: 144 11:04:20 -718.008846 2.401770 BFGS: 145 11:04:22 -718.031248 2.427407 BFGS: 146 11:04:23 -725.419403 1.515761 BFGS: 147 11:04:24 -725.430202 1.515126 BFGS: 148 11:04:25 -725.452543 1.513467 BFGS: 149 11:04:26 -725.472507 1.511089 BFGS: 150 11:04:27 -725.489946 1.507718 BFGS: 151 11:04:27 -725.505061 1.503090 BFGS: 152 11:04:28 -725.518577 1.496924 BFGS: 153 11:04:30 -725.531914 1.488936 BFGS: 154 11:04:31 -725.547065 1.478979 BFGS: 155 11:04:32 -725.565916 1.467318 BFGS: 156 11:04:33 -725.589396 1.454992 BFGS: 157 11:04:34 -725.616711 1.444594 BFGS: 158 11:04:34 -725.644543 1.442181 BFGS: 159 11:04:35 -725.670158 1.451586 BFGS: 160 11:04:36 -725.701181 1.468955 BFGS: 161 11:04:37 -725.728272 1.482511 BFGS: 162 11:04:38 -725.754083 1.491414 BFGS: 163 11:04:39 -725.779961 1.496178 BFGS: 164 11:04:40 -717.761497 2.229798 BFGS: 165 11:04:41 -717.825016 2.209168 BFGS: 166 11:04:42 -717.865373 2.220529 BFGS: 167 11:04:43 -717.902297 2.243919 BFGS: 168 11:04:44 -725.783161 1.524386 BFGS: 169 11:04:45 -725.799203 1.516411 BFGS: 170 11:04:46 -725.829833 1.501514 BFGS: 171 11:04:46 -717.864007 2.260123 BFGS: 172 11:04:47 -717.890493 2.266097 BFGS: 173 11:04:48 -717.927216 2.282677 BFGS: 174 11:04:49 -725.792045 1.503783 BFGS: 175 11:04:50 -725.810473 1.498882 BFGS: 176 11:04:51 -717.918591 2.284618 BFGS: 177 11:04:52 -717.935120 2.293798 BFGS: 178 11:04:53 -725.796613 1.493263 BFGS: 179 11:04:54 -717.955842 2.309203 BFGS: 180 11:04:55 -717.964500 2.316478 BFGS: 181 11:04:56 -725.760874 1.477407 BFGS: 182 11:04:57 -717.995919 2.344300 BFGS: 183 11:04:57 -718.008706 2.356231 BFGS: 184 11:04:58 -725.675744 1.445050 BFGS: 185 11:05:00 -718.061027 2.404580 BFGS: 186 11:05:01 -718.083895 2.427264 BFGS: 187 11:05:02 -725.452403 1.345249 BFGS: 188 11:05:04 -718.185971 2.531635 BFGS: 189 11:05:05 -718.234932 2.588715 BFGS: 190 11:05:06 -725.212259 1.152154 BFGS: 191 11:05:07 -725.427234 1.323715 BFGS: 192 11:05:08 -718.088378 2.406797 BFGS: 193 11:05:09 -718.250073 2.559940 BFGS: 194 11:05:10 -725.279959 1.186497 BFGS: 195 11:05:11 -725.458316 1.337184 BFGS: 196 11:05:12 -718.096108 2.394555 BFGS: 197 11:05:13 -718.275869 2.558216 BFGS: 198 11:05:14 -725.300260 1.181889 BFGS: 199 11:05:15 -725.463969 1.331586 BFGS: 200 11:05:16 -718.123637 2.402173 BFGS: 201 11:05:17 -718.313941 2.576627 BFGS: 202 11:05:17 -725.295283 1.150872 BFGS: 203 11:05:18 -725.452836 1.310284 BFGS: 204 11:05:19 -718.168130 2.425894 BFGS: 205 11:05:20 -718.365224 2.613406 BFGS: 206 11:05:21 -725.274923 1.097295 BFGS: 207 11:05:21 -725.429248 1.273241 BFGS: 208 11:05:23 -718.227456 2.464761 BFGS: 209 11:05:24 -718.429859 2.668567 BFGS: 210 11:05:26 -725.243902 1.020711 BFGS: 211 11:05:27 -725.395494 1.218308 BFGS: 212 11:05:28 -718.300513 2.519619 BFGS: 213 11:05:29 -718.508081 2.743589 BFGS: 214 11:05:31 -725.203794 0.917037 BFGS: 215 11:05:32 -725.352274 1.141147 BFGS: 216 11:05:33 -718.385599 2.590989 BFGS: 217 11:05:35 -718.599969 2.840595 BFGS: 218 11:05:36 -725.152909 0.777177 BFGS: 219 11:05:37 -725.298572 1.035042 BFGS: 220 11:05:38 -718.460731 2.654908 BFGS: 221 11:05:39 -718.696199 2.949668 BFGS: 222 11:05:40 -725.073985 0.567662 BFGS: 223 11:05:41 -725.228645 0.890610 BFGS: 224 11:05:42 -718.364205 2.541969 BFGS: 225 11:05:43 -718.730711 2.979188 BFGS: 226 11:05:44 -724.999051 0.509374 BFGS: 227 11:05:44 -725.175414 0.757073 BFGS: 228 11:05:45 -718.456948 2.629226 BFGS: 229 11:05:46 -718.833237 3.109513 BFGS: 230 11:05:47 -724.928890 0.568397 BFGS: 231 11:05:47 -725.099895 0.549165 BFGS: 232 11:05:48 -718.582525 2.763806 BFGS: 233 11:05:49 -718.974550 3.306616 BFGS: 234 11:05:50 -724.864336 0.629425 BFGS: 235 11:05:51 -725.015413 0.505431 BFGS: 236 11:05:52 -718.732159 2.955263 BFGS: 237 11:05:53 -719.154200 3.581935 BFGS: 238 11:05:54 -724.800332 0.700207 BFGS: 239 11:05:54 -724.922337 0.590520 BFGS: 240 11:05:55 -718.931383 3.249300 BFGS: 241 11:05:56 -719.412426 4.008019 BFGS: 242 11:05:57 -724.754136 1.257693 BFGS: 243 11:05:58 -724.837238 0.969934 BFGS: 244 11:05:59 -719.335085 4.028917 BFGS: 245 11:06:00 -724.950897 0.612383 BFGS: 246 11:06:01 -719.748384 4.592143 BFGS: 247 11:06:02 -724.996916 0.566027 BFGS: 248 11:06:03 -719.862003 4.736525 BFGS: 249 11:06:06 -719.908526 4.777012 BFGS: 250 11:06:07 -719.951881 4.817870 BFGS: 251 11:06:07 -719.992946 4.858623 BFGS: 252 11:06:08 -720.032521 4.899426 BFGS: 253 11:06:09 -720.071092 4.940462 BFGS: 254 11:06:10 -720.109001 4.981915 BFGS: 255 11:06:11 -720.146504 5.023955 BFGS: 256 11:06:12 -720.183805 5.066732 BFGS: 257 11:06:13 -720.221073 5.110373 BFGS: 258 11:06:14 -720.258449 5.154980 BFGS: 259 11:06:15 -720.296057 5.200634 BFGS: 260 11:06:15 -720.334003 5.247390 BFGS: 261 11:06:16 -720.372380 5.295282 BFGS: 262 11:06:17 -720.411270 5.344321 BFGS: 263 11:06:18 -720.450746 5.394497 BFGS: 264 11:06:19 -720.490871 5.445775 BFGS: 265 11:06:19 -720.531699 5.498101 BFGS: 266 11:06:20 -720.573278 5.551400 BFGS: 267 11:06:21 -720.615648 5.605573 BFGS: 268 11:06:22 -720.658839 5.660502 BFGS: 269 11:06:22 -720.702880 5.716048 BFGS: 270 11:06:23 -720.747787 5.772051 BFGS: 271 11:06:24 -720.793575 5.828335 BFGS: 272 11:06:25 -720.840250 5.884702 BFGS: 273 11:06:26 -720.887814 5.940940 BFGS: 274 11:06:27 -720.936262 5.996821 BFGS: 275 11:06:27 -720.985586 6.052104 BFGS: 276 11:06:28 -721.035774 6.106535 BFGS: 277 11:06:29 -721.086806 6.159854 BFGS: 278 11:06:30 -721.138663 6.211792 BFGS: 279 11:06:31 -735.880852 6.262075 BFGS: 280 11:06:32 -735.933510 6.311277 BFGS: 281 11:06:32 -735.987135 6.358926 BFGS: 282 11:06:33 -736.041662 6.404298 BFGS: 283 11:06:34 -736.097078 6.446995 BFGS: 284 11:06:35 -736.153374 6.486692 BFGS: 285 11:06:36 -736.210542 6.523092 BFGS: 286 11:06:36 -736.268566 6.555922 BFGS: 287 11:06:37 -736.327433 6.584930 BFGS: 288 11:06:38 -736.387123 6.609892 BFGS: 289 11:06:39 -736.447620 6.630606 BFGS: 290 11:06:39 -736.508905 6.646900 BFGS: 291 11:06:40 -736.570961 6.658631 BFGS: 292 11:06:41 -736.633771 6.665683 BFGS: 293 11:06:42 -736.697321 6.667973 BFGS: 294 11:06:43 -736.761598 6.665443 BFGS: 295 11:06:44 -736.826588 6.658066 BFGS: 296 11:06:46 -736.892285 6.645840 BFGS: 297 11:06:48 -736.958680 6.628787 BFGS: 298 11:06:50 -737.025769 6.606952 BFGS: 299 11:06:51 -737.093550 6.580400 BFGS: 300 11:06:52 -737.162024 6.549214 BFGS: 301 11:06:53 -737.231194 6.513489 BFGS: 302 11:06:53 -737.301064 6.473332 BFGS: 303 11:06:54 -737.371643 6.428862 BFGS: 304 11:06:55 -737.442938 6.380201 BFGS: 305 11:06:56 -737.514962 6.327477 BFGS: 306 11:06:57 -737.587726 6.270821 BFGS: 307 11:06:58 -737.661245 6.210362 BFGS: 308 11:06:59 -737.735533 6.146230 BFGS: 309 11:07:00 -737.810606 6.078552 BFGS: 310 11:07:00 -737.886479 6.007453 BFGS: 311 11:07:01 -737.963168 5.933052 BFGS: 312 11:07:02 -738.040691 5.855465 BFGS: 313 11:07:03 -738.119062 5.774803 BFGS: 314 11:07:04 -738.198297 5.691172 BFGS: 315 11:07:05 -738.278411 5.604672 BFGS: 316 11:07:05 -738.359417 5.515399 BFGS: 317 11:07:06 -738.441330 5.423443 BFGS: 318 11:07:08 -738.524162 5.328890 BFGS: 319 11:07:09 -738.607924 5.231821 BFGS: 320 11:07:11 -738.692628 5.132311 BFGS: 321 11:07:14 -738.778282 5.030434 BFGS: 322 11:07:16 -738.864897 4.926257 BFGS: 323 11:07:17 -738.952481 4.819845 BFGS: 324 11:07:18 -739.041042 4.711260 BFGS: 325 11:07:19 -739.130587 4.600560 BFGS: 326 11:07:20 -739.221126 4.487800 BFGS: 327 11:07:21 -739.312665 4.373036 BFGS: 328 11:07:22 -739.405213 4.256319 BFGS: 329 11:07:22 -739.498779 4.137699 BFGS: 330 11:07:23 -739.593375 4.017226 BFGS: 331 11:07:24 -739.689011 3.894949 BFGS: 332 11:07:25 -739.785702 3.770919 BFGS: 333 11:07:26 -739.883463 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-744.949273 0.034123 BFGS: 9915 13:50:40 -744.949273 0.034123 BFGS: 9916 13:50:40 -744.949273 0.034123 BFGS: 9917 13:50:40 -744.949273 0.034123 BFGS: 9918 13:50:40 -744.949273 0.034123 BFGS: 9919 13:50:41 -744.949273 0.034123 BFGS: 9920 13:50:41 -744.949273 0.034123 BFGS: 9921 13:50:41 -744.949273 0.034123 BFGS: 9922 13:50:41 -744.949273 0.034123 BFGS: 9923 13:50:42 -744.949273 0.034123 BFGS: 9924 13:50:42 -744.949273 0.034123 BFGS: 9925 13:50:42 -744.949273 0.034123 BFGS: 9926 13:50:42 -744.949273 0.034123 BFGS: 9927 13:50:42 -744.949273 0.034123 BFGS: 9928 13:50:43 -744.949273 0.034123 BFGS: 9929 13:50:43 -744.949273 0.034123 BFGS: 9930 13:50:43 -744.949273 0.034123 BFGS: 9931 13:50:44 -744.949273 0.034123 BFGS: 9932 13:50:44 -744.949273 0.034123 BFGS: 9933 13:50:44 -744.949273 0.034123 BFGS: 9934 13:50:45 -744.949273 0.034123 BFGS: 9935 13:50:45 -744.949273 0.034123 BFGS: 9936 13:50:45 -744.949273 0.034123 BFGS: 9937 13:50:45 -744.949273 0.034123 BFGS: 9938 13:50:46 -744.949273 0.034123 BFGS: 9939 13:50:46 -744.949273 0.034123 BFGS: 9940 13:50:46 -744.949273 0.034123 BFGS: 9941 13:50:46 -744.949273 0.034123 BFGS: 9942 13:50:46 -744.949273 0.034123 BFGS: 9943 13:50:47 -744.949273 0.034123 BFGS: 9944 13:50:47 -744.949273 0.034123 BFGS: 9945 13:50:47 -744.949273 0.034123 BFGS: 9946 13:50:47 -744.949273 0.034123 BFGS: 9947 13:50:48 -744.949273 0.034123 BFGS: 9948 13:50:48 -744.949273 0.034123 BFGS: 9949 13:50:48 -744.949273 0.034123 BFGS: 9950 13:50:48 -744.949273 0.034123 BFGS: 9951 13:50:49 -744.949273 0.034123 BFGS: 9952 13:50:49 -744.949273 0.034123 BFGS: 9953 13:50:49 -744.949273 0.034123 BFGS: 9954 13:50:49 -744.949273 0.034123 BFGS: 9955 13:50:50 -744.949273 0.034123 BFGS: 9956 13:50:50 -744.949273 0.034123 BFGS: 9957 13:50:50 -744.949273 0.034123 BFGS: 9958 13:50:51 -744.949273 0.034123 BFGS: 9959 13:50:51 -744.949273 0.034123 BFGS: 9960 13:50:51 -744.949273 0.034123 BFGS: 9961 13:50:51 -744.949273 0.034123 BFGS: 9962 13:50:52 -744.949273 0.034123 BFGS: 9963 13:50:52 -744.949273 0.034123 BFGS: 9964 13:50:52 -744.949273 0.034123 BFGS: 9965 13:50:52 -744.949273 0.034123 BFGS: 9966 13:50:52 -744.949273 0.034123 BFGS: 9967 13:50:53 -744.949273 0.034123 BFGS: 9968 13:50:53 -744.949273 0.034123 BFGS: 9969 13:50:53 -744.949273 0.034123 BFGS: 9970 13:50:53 -744.949273 0.034123 BFGS: 9971 13:50:54 -744.949273 0.034123 BFGS: 9972 13:50:54 -744.949273 0.034123 BFGS: 9973 13:50:54 -744.949273 0.034123 BFGS: 9974 13:50:54 -744.949273 0.034123 BFGS: 9975 13:50:55 -744.949273 0.034123 BFGS: 9976 13:50:55 -744.949273 0.034123 BFGS: 9977 13:50:55 -744.949273 0.034123 BFGS: 9978 13:50:56 -744.949273 0.034123 BFGS: 9979 13:50:56 -744.949273 0.034123 BFGS: 9980 13:50:56 -744.949273 0.034123 BFGS: 9981 13:50:56 -744.949273 0.034123 BFGS: 9982 13:50:56 -744.949273 0.034123 BFGS: 9983 13:50:57 -744.949273 0.034123 BFGS: 9984 13:50:57 -744.949273 0.034123 BFGS: 9985 13:50:57 -744.949273 0.034123 BFGS: 9986 13:50:57 -744.949273 0.034123 BFGS: 9987 13:50:58 -744.949273 0.034123 BFGS: 9988 13:50:58 -744.949273 0.034123 BFGS: 9989 13:50:58 -744.949273 0.034123 BFGS: 9990 13:50:58 -744.949273 0.034123 BFGS: 9991 13:50:59 -744.949273 0.034123 BFGS: 9992 13:50:59 -744.949273 0.034123 BFGS: 9993 13:50:59 -744.949273 0.034123 BFGS: 9994 13:50:59 -744.949273 0.034123 BFGS: 9995 13:51:00 -744.949273 0.034123 BFGS: 9996 13:51:00 -744.949273 0.034123 BFGS: 9997 13:51:00 -744.949273 0.034123 BFGS: 9998 13:51:00 -744.949273 0.034123 BFGS: 9999 13:51:01 -744.949273 0.034123 BFGS: 10000 13:51:01 -744.949273 0.034123 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.02612024918957413 eV/Angstrom Maximum stress component: 0.00106148427759022 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 4.46536673e-01 2.50000000e-01] [5.00000000e-01 9.46536673e-01 2.50000000e-01] [4.95551723e-15 5.53463327e-01 7.50000000e-01] [5.00000000e-01 5.34633273e-02 7.50000000e-01] [3.09491274e-01 9.75961338e-01 5.83142567e-01] [6.90508726e-01 9.75961338e-01 9.16857433e-01] [8.09491274e-01 4.75961338e-01 5.83142567e-01] [1.90508726e-01 4.75961338e-01 9.16857433e-01] [6.90508726e-01 2.40386618e-02 4.16857433e-01] [3.09491274e-01 2.40386618e-02 8.31425670e-02] [1.90508726e-01 5.24038662e-01 4.16857433e-01] [8.09491274e-01 5.24038662e-01 8.31425670e-02] [1.47805775e-01 6.33494538e-02 8.08329713e-01] [8.52194225e-01 6.33494538e-02 6.91670287e-01] [6.47805775e-01 5.63349454e-01 8.08329713e-01] [3.52194225e-01 5.63349454e-01 6.91670287e-01] [8.52194225e-01 9.36650546e-01 1.91670287e-01] [1.47805775e-01 9.36650546e-01 3.08329713e-01] [3.52194225e-01 4.36650546e-01 1.91670287e-01] [6.47805775e-01 4.36650546e-01 3.08329713e-01] [1.52493306e-01 9.35353494e-01 6.93597520e-01] [8.47506694e-01 9.35353494e-01 8.06402480e-01] [6.52493306e-01 4.35353494e-01 6.93597520e-01] [3.47506694e-01 4.35353494e-01 8.06402480e-01] [8.47506694e-01 6.46465061e-02 3.06402480e-01] [1.52493306e-01 6.46465061e-02 1.93597520e-01] [3.47506694e-01 5.64646506e-01 3.06402480e-01] [6.52493306e-01 5.64646506e-01 1.93597520e-01] [9.55778830e-02 9.60330564e-01 5.05921382e-01] [9.04422117e-01 9.60330564e-01 9.94078618e-01] [5.95577883e-01 4.60330564e-01 5.05921382e-01] [4.04422117e-01 4.60330564e-01 9.94078618e-01] [9.04422117e-01 3.96694359e-02 4.94078618e-01] [9.55778830e-02 3.96694359e-02 5.92138168e-03] [4.04422117e-01 5.39669436e-01 4.94078618e-01] [5.95577883e-01 5.39669436e-01 5.92138168e-03] [6.08648867e-01 3.21827705e-01 8.13526383e-01] [3.91351133e-01 3.21827705e-01 6.86473617e-01] [1.08648867e-01 8.21827705e-01 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3.15374615e-01] [1.00443611e-01 8.49269329e-01 1.84625385e-01] [5.67262066e-01 5.99498389e-01 4.91897752e-01] [4.32737934e-01 5.99498389e-01 8.10224842e-03] [6.72620659e-02 9.94983889e-02 4.91897752e-01] [9.32737934e-01 9.94983889e-02 8.10224842e-03] [4.32737934e-01 4.00501611e-01 5.08102248e-01] [5.67262066e-01 4.00501611e-01 9.91897752e-01] [9.32737934e-01 9.00501611e-01 5.08102248e-01] [6.72620659e-02 9.00501611e-01 9.91897752e-01] [4.50712209e-01 8.79253953e-01 6.47659293e-01] [5.49287791e-01 8.79253953e-01 8.52340707e-01] [9.50712209e-01 3.79253953e-01 6.47659293e-01] [4.92877913e-02 3.79253953e-01 8.52340707e-01] [5.49287791e-01 1.20746047e-01 3.52340707e-01] [4.50712209e-01 1.20746047e-01 1.47659293e-01] [4.92877913e-02 6.20746047e-01 3.52340707e-01] [9.50712209e-01 6.20746047e-01 1.47659293e-01] [6.62582364e-01 7.97739087e-01 6.30465115e-01] [3.37417636e-01 7.97739087e-01 8.69534885e-01] [1.62582364e-01 2.97739087e-01 6.30465115e-01] [8.37417636e-01 2.97739087e-01 8.69534885e-01] [3.37417636e-01 2.02260913e-01 3.69534885e-01] [6.62582364e-01 2.02260913e-01 1.30465115e-01] [8.37417636e-01 7.02260913e-01 3.69534885e-01] [1.62582364e-01 7.02260913e-01 1.30465115e-01] [6.19944768e-01 8.98182782e-01 7.31290881e-01] [3.80055232e-01 8.98182782e-01 7.68709119e-01] [1.19944768e-01 3.98182782e-01 7.31290881e-01] [8.80055232e-01 3.98182782e-01 7.68709119e-01] [3.80055232e-01 1.01817218e-01 2.68709119e-01] [6.19944768e-01 1.01817218e-01 2.31290881e-01] [8.80055232e-01 6.01817218e-01 2.68709119e-01] [1.19944768e-01 6.01817218e-01 2.31290881e-01] [6.37293040e-01 6.12945955e-02 6.10856293e-01] [3.62706960e-01 6.12945955e-02 8.89143707e-01] [1.37293040e-01 5.61294595e-01 6.10856293e-01] [8.62706960e-01 5.61294595e-01 8.89143707e-01] [3.62706960e-01 9.38705405e-01 3.89143707e-01] [6.37293040e-01 9.38705405e-01 1.10856293e-01] [8.62706960e-01 4.38705405e-01 3.89143707e-01] [1.37293040e-01 4.38705405e-01 1.10856293e-01]] cellpar = Cell([[25.49544963166561, -1.835520074059531e-18, -0.3370508715803932], [4.340338582904468e-19, 16.344763798966774, 4.0498876547698576e-17], [0.682626202224937, 2.606739796863163e-17, 9.803905109201791]]) forces = [[-4.62007244e-22 -1.73981802e-02 -4.31090202e-20] [-4.62007244e-22 -1.73981802e-02 -4.31090202e-20] [ 4.62007224e-22 1.73981802e-02 4.31090202e-20] [ 4.62007244e-22 1.73981802e-02 4.31090202e-20] [-4.47850882e-03 1.41721677e-03 -9.14335402e-03] [ 4.47850882e-03 1.41721677e-03 9.14335402e-03] [-4.47850882e-03 1.41721677e-03 -9.14335402e-03] [ 4.47850882e-03 1.41721677e-03 9.14335402e-03] [ 4.47850882e-03 -1.41721677e-03 9.14335402e-03] [-4.47850882e-03 -1.41721677e-03 -9.14335402e-03] [ 4.47850882e-03 -1.41721677e-03 9.14335402e-03] [-4.47850882e-03 -1.41721677e-03 -9.14335402e-03] [ 1.54687509e-02 4.19725651e-03 7.64542369e-03] [-1.54687509e-02 4.19725651e-03 -7.64542369e-03] [ 1.54687509e-02 4.19725651e-03 7.64542369e-03] [-1.54687509e-02 4.19725651e-03 -7.64542369e-03] [-1.54687509e-02 -4.19725651e-03 -7.64542369e-03] [ 1.54687509e-02 -4.19725651e-03 7.64542369e-03] [-1.54687509e-02 -4.19725651e-03 -7.64542369e-03] [ 1.54687509e-02 -4.19725651e-03 7.64542369e-03] [ 4.99267616e-03 -3.21290333e-03 2.24871887e-03] [-4.99267616e-03 -3.21290333e-03 -2.24871887e-03] [ 4.99267616e-03 -3.21290333e-03 2.24871887e-03] [-4.99267616e-03 -3.21290333e-03 -2.24871887e-03] [-4.99267616e-03 3.21290333e-03 -2.24871887e-03] [ 4.99267616e-03 3.21290333e-03 2.24871887e-03] [-4.99267616e-03 3.21290333e-03 -2.24871887e-03] [ 4.99267616e-03 3.21290333e-03 2.24871887e-03] [ 6.04959154e-03 -9.96508427e-04 -9.06401314e-04] [-6.04959154e-03 -9.96508427e-04 9.06401314e-04] [ 6.04959154e-03 -9.96508427e-04 -9.06401314e-04] [-6.04959154e-03 -9.96508427e-04 9.06401314e-04] [-6.04959154e-03 9.96508427e-04 9.06401314e-04] [ 6.04959154e-03 9.96508427e-04 -9.06401314e-04] [-6.04959154e-03 9.96508427e-04 9.06401314e-04] [ 6.04959154e-03 9.96508427e-04 -9.06401314e-04] [ 4.88847899e-04 3.10418467e-03 8.53020371e-03] [-4.88847899e-04 3.10418467e-03 -8.53020371e-03] [ 4.88847899e-04 3.10418467e-03 8.53020371e-03] [-4.88847899e-04 3.10418467e-03 -8.53020371e-03] [-4.88847899e-04 -3.10418467e-03 -8.53020371e-03] [ 4.88847899e-04 -3.10418467e-03 8.53020371e-03] [-4.88847899e-04 -3.10418467e-03 -8.53020371e-03] [ 4.88847899e-04 -3.10418467e-03 8.53020371e-03] [-2.20224851e-03 3.83026085e-03 -1.34365486e-03] [ 2.20224851e-03 3.83026085e-03 1.34365486e-03] [-2.20224851e-03 3.83026085e-03 -1.34365486e-03] [ 2.20224851e-03 3.83026085e-03 1.34365486e-03] [ 2.20224851e-03 -3.83026085e-03 1.34365486e-03] [-2.20224851e-03 -3.83026085e-03 -1.34365486e-03] [ 2.20224851e-03 -3.83026085e-03 1.34365486e-03] [-2.20224851e-03 -3.83026085e-03 -1.34365486e-03] [ 1.39773473e-02 -9.00686059e-03 -7.96940583e-03] [-1.39773473e-02 -9.00686059e-03 7.96940583e-03] [ 1.39773473e-02 -9.00686059e-03 -7.96940583e-03] [-1.39773473e-02 -9.00686059e-03 7.96940583e-03] [-1.39773473e-02 9.00686059e-03 7.96940583e-03] [ 1.39773473e-02 9.00686059e-03 -7.96940583e-03] [-1.39773473e-02 9.00686059e-03 7.96940583e-03] [ 1.39773473e-02 9.00686059e-03 -7.96940583e-03] [-2.72819907e-03 2.50898567e-03 -1.69542668e-02] [ 2.72819907e-03 2.50898567e-03 1.69542668e-02] [-2.72819907e-03 2.50898567e-03 -1.69542668e-02] [ 2.72819907e-03 2.50898567e-03 1.69542668e-02] [ 2.72819907e-03 -2.50898567e-03 1.69542668e-02] [-2.72819907e-03 -2.50898567e-03 -1.69542668e-02] [ 2.72819907e-03 -2.50898567e-03 1.69542668e-02] [-2.72819907e-03 -2.50898567e-03 -1.69542668e-02] [-5.79352366e-03 2.41657508e-03 -7.22300827e-03] [ 5.79352366e-03 2.41657508e-03 7.22300827e-03] [-5.79352366e-03 2.41657508e-03 -7.22300827e-03] [ 5.79352366e-03 2.41657508e-03 7.22300827e-03] [ 5.79352366e-03 -2.41657508e-03 7.22300827e-03] [-5.79352366e-03 -2.41657508e-03 -7.22300827e-03] [ 5.79352366e-03 -2.41657508e-03 7.22300827e-03] [-5.79352366e-03 -2.41657508e-03 -7.22300827e-03] [-5.22753461e-03 1.63089417e-03 3.87467163e-03] [ 5.22753461e-03 1.63089417e-03 -3.87467163e-03] [-5.22753461e-03 1.63089417e-03 3.87467163e-03] [ 5.22753461e-03 1.63089417e-03 -3.87467163e-03] [ 5.22753461e-03 -1.63089417e-03 -3.87467163e-03] [-5.22753461e-03 -1.63089417e-03 3.87467163e-03] [ 5.22753461e-03 -1.63089417e-03 -3.87467163e-03] [-5.22753461e-03 -1.63089417e-03 3.87467163e-03] [-6.71875159e-03 -3.22201455e-03 7.58990870e-03] [ 6.71875159e-03 -3.22201455e-03 -7.58990870e-03] [-6.71875159e-03 -3.22201455e-03 7.58990870e-03] [ 6.71875159e-03 -3.22201455e-03 -7.58990870e-03] [ 6.71875159e-03 3.22201455e-03 -7.58990870e-03] [-6.71875159e-03 3.22201455e-03 7.58990870e-03] [ 6.71875159e-03 3.22201455e-03 -7.58990870e-03] [-6.71875159e-03 3.22201455e-03 7.58990870e-03] [-6.22367142e-04 -3.08228300e-04 1.86154257e-03] [ 6.22367142e-04 -3.08228300e-04 -1.86154257e-03] [-6.22367142e-04 -3.08228300e-04 1.86154257e-03] [ 6.22367142e-04 -3.08228300e-04 -1.86154257e-03] [ 6.22367142e-04 3.08228300e-04 -1.86154257e-03] [-6.22367142e-04 3.08228300e-04 1.86154257e-03] [ 6.22367142e-04 3.08228300e-04 -1.86154257e-03] [-6.22367142e-04 3.08228300e-04 1.86154257e-03] [ 8.84868047e-03 -8.96433287e-03 1.82588050e-02] [-8.84868047e-03 -8.96433287e-03 -1.82588050e-02] [ 8.84868047e-03 -8.96433287e-03 1.82588050e-02] [-8.84868047e-03 -8.96433287e-03 -1.82588050e-02] [-8.84868047e-03 8.96433287e-03 -1.82588050e-02] [ 8.84868047e-03 8.96433287e-03 1.82588050e-02] [-8.84868047e-03 8.96433287e-03 -1.82588050e-02] [ 8.84868047e-03 8.96433287e-03 1.82588050e-02] [ 2.28190505e-02 2.87815997e-03 2.58083397e-02] [-2.28190505e-02 2.87815997e-03 -2.58083397e-02] [ 2.28190505e-02 2.87815997e-03 2.58083397e-02] [-2.28190505e-02 2.87815997e-03 -2.58083397e-02] [-2.28190505e-02 -2.87815997e-03 -2.58083397e-02] [ 2.28190505e-02 -2.87815997e-03 2.58083397e-02] [-2.28190505e-02 -2.87815997e-03 -2.58083397e-02] [ 2.28190505e-02 -2.87815997e-03 2.58083397e-02] [-1.11642694e-02 -4.93248505e-05 -5.02428937e-03] [ 1.11642694e-02 -4.93248505e-05 5.02428937e-03] [-1.11642694e-02 -4.93248505e-05 -5.02428937e-03] [ 1.11642694e-02 -4.93248505e-05 5.02428937e-03] [ 1.11642694e-02 4.93248505e-05 5.02428937e-03] [-1.11642694e-02 4.93248505e-05 -5.02428937e-03] [ 1.11642694e-02 4.93248505e-05 5.02428937e-03] [-1.11642694e-02 4.93248505e-05 -5.02428937e-03] [-9.68670833e-03 -3.55949145e-03 2.60063967e-03] [ 9.68670833e-03 -3.55949145e-03 -2.60063967e-03] [-9.68670833e-03 -3.55949145e-03 2.60063967e-03] [ 9.68670833e-03 -3.55949145e-03 -2.60063967e-03] [ 9.68670833e-03 3.55949145e-03 -2.60063967e-03] [-9.68670833e-03 3.55949145e-03 2.60063967e-03] [ 9.68670833e-03 3.55949145e-03 -2.60063967e-03] [-9.68670833e-03 3.55949145e-03 2.60063967e-03] [ 1.26212291e-03 5.15149927e-03 -9.60142811e-03] [-1.26212291e-03 5.15149927e-03 9.60142811e-03] [ 1.26212291e-03 5.15149927e-03 -9.60142811e-03] [-1.26212291e-03 5.15149927e-03 9.60142811e-03] [-1.26212291e-03 -5.15149927e-03 9.60142811e-03] [ 1.26212291e-03 -5.15149927e-03 -9.60142811e-03] [-1.26212291e-03 -5.15149927e-03 9.60142811e-03] [ 1.26212291e-03 -5.15149927e-03 -9.60142811e-03] [-9.88475667e-04 -1.33269153e-02 -2.61202492e-02] [ 9.88475667e-04 -1.33269153e-02 2.61202492e-02] [-9.88475667e-04 -1.33269153e-02 -2.61202492e-02] [ 9.88475667e-04 -1.33269153e-02 2.61202492e-02] [ 9.88475667e-04 1.33269153e-02 2.61202492e-02] [-9.88475667e-04 1.33269153e-02 -2.61202492e-02] [ 9.88475667e-04 1.33269153e-02 2.61202492e-02] [-9.88475667e-04 1.33269153e-02 -2.61202492e-02] [ 4.73184516e-03 5.92046150e-03 4.63966034e-04] [-4.73184516e-03 5.92046150e-03 -4.63966034e-04] [ 4.73184516e-03 5.92046150e-03 4.63966034e-04] [-4.73184516e-03 5.92046150e-03 -4.63966034e-04] [-4.73184516e-03 -5.92046150e-03 -4.63966034e-04] [ 4.73184516e-03 -5.92046150e-03 4.63966034e-04] [-4.73184516e-03 -5.92046150e-03 -4.63966034e-04] [ 4.73184516e-03 -5.92046150e-03 4.63966034e-04] [ 1.67276496e-03 -5.22410083e-03 -1.16139291e-02] [-1.67276496e-03 -5.22410083e-03 1.16139291e-02] [ 1.67276496e-03 -5.22410083e-03 -1.16139291e-02] [-1.67276496e-03 -5.22410083e-03 1.16139291e-02] [-1.67276496e-03 5.22410083e-03 1.16139291e-02] [ 1.67276496e-03 5.22410083e-03 -1.16139291e-02] [-1.67276496e-03 5.22410083e-03 1.16139291e-02] [ 1.67276496e-03 5.22410083e-03 -1.16139291e-02]] stress = [ 4.65133273e-04 2.40972144e-04 -1.06148428e-03 -1.77840185e-25 -5.31342625e-06 -9.72493838e-24] energy per atom = -4.542373614052497 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0