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: Sim_LAMMPS_MEAM_LenoskySadighAlonso_2000_Si__SM_622320990752_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 16:10:11 -731.113186 0.7935 BFGS: 1 16:10:11 -731.283385 0.6499 BFGS: 2 16:10:12 -731.631822 0.3912 BFGS: 3 16:10:12 -731.673078 0.3906 BFGS: 4 16:10:12 -731.835979 0.3847 BFGS: 5 16:10:12 -731.903883 0.3796 BFGS: 6 16:10:13 -731.959322 0.3715 BFGS: 7 16:10:13 -732.016823 0.3614 BFGS: 8 16:10:13 -732.070363 0.3527 BFGS: 9 16:10:13 -732.106839 0.3460 BFGS: 10 16:10:14 -732.145507 0.3395 BFGS: 11 16:10:14 -732.187365 0.3333 BFGS: 12 16:10:14 -732.229119 0.3276 BFGS: 13 16:10:14 -732.270359 0.3218 BFGS: 14 16:10:15 -732.310310 0.3158 BFGS: 15 16:10:15 -732.348543 0.3096 BFGS: 16 16:10:15 -732.384936 0.3030 BFGS: 17 16:10:15 -732.419532 0.2963 BFGS: 18 16:10:15 -732.452440 0.2893 BFGS: 19 16:10:16 -732.483792 0.2821 BFGS: 20 16:10:16 -732.513626 0.2748 BFGS: 21 16:10:16 -732.542820 0.2675 BFGS: 22 16:10:16 -732.571115 0.2601 BFGS: 23 16:10:17 -732.598203 0.2526 BFGS: 24 16:10:17 -732.624210 0.2449 BFGS: 25 16:10:17 -732.649233 0.2372 BFGS: 26 16:10:18 -732.673375 0.2294 BFGS: 27 16:10:18 -732.696728 0.2215 BFGS: 28 16:10:18 -732.719378 0.2135 BFGS: 29 16:10:18 -732.741394 0.2055 BFGS: 30 16:10:19 -732.762840 0.1975 BFGS: 31 16:10:19 -732.783729 0.1890 BFGS: 32 16:10:19 -732.804255 0.1801 BFGS: 33 16:10:19 -732.824661 0.1710 BFGS: 34 16:10:20 -732.844777 0.1619 BFGS: 35 16:10:20 -732.864533 0.1528 BFGS: 36 16:10:20 -732.883907 0.1436 BFGS: 37 16:10:21 -732.902889 0.1343 BFGS: 38 16:10:21 -732.921463 0.1250 BFGS: 39 16:10:21 -732.939613 0.1157 BFGS: 40 16:10:22 -732.957314 0.1064 BFGS: 41 16:10:22 -732.974536 0.0977 BFGS: 42 16:10:22 -732.991249 0.0979 BFGS: 43 16:10:23 -733.007420 0.0991 BFGS: 44 16:10:23 -733.023028 0.0973 BFGS: 45 16:10:23 -733.038089 0.0915 BFGS: 46 16:10:24 -733.052736 0.0793 BFGS: 47 16:10:24 -733.067682 0.0812 BFGS: 48 16:10:24 -733.079213 0.0818 BFGS: 49 16:10:25 -733.092339 0.0728 BFGS: 50 16:10:25 -733.104866 0.0633 BFGS: 51 16:10:26 -733.113024 0.0675 BFGS: 52 16:10:26 -733.120028 0.0644 BFGS: 53 16:10:26 -733.128281 0.0514 BFGS: 54 16:10:27 -733.134022 0.0458 BFGS: 55 16:10:27 -733.138860 0.0405 BFGS: 56 16:10:28 -733.142802 0.0362 BFGS: 57 16:10:28 -733.145802 0.0329 BFGS: 58 16:10:28 -733.147554 0.0341 BFGS: 59 16:10:29 -733.150074 0.0336 BFGS: 60 16:10:29 -733.152044 0.0287 BFGS: 61 16:10:30 -733.153038 0.0246 BFGS: 62 16:10:30 -733.153585 0.0261 BFGS: 63 16:10:30 -733.154211 0.0266 BFGS: 64 16:10:31 -733.154958 0.0258 BFGS: 65 16:10:31 -733.155560 0.0241 BFGS: 66 16:10:31 -733.155917 0.0268 BFGS: 67 16:10:32 -733.156189 0.0281 BFGS: 68 16:10:32 -733.156519 0.0284 BFGS: 69 16:10:33 -733.156901 0.0273 BFGS: 70 16:10:33 -733.157254 0.0254 BFGS: 71 16:10:33 -733.157553 0.0237 BFGS: 72 16:10:34 -733.157856 0.0229 BFGS: 73 16:10:34 -733.158212 0.0231 BFGS: 74 16:10:34 -733.158603 0.0244 BFGS: 75 16:10:35 -733.158978 0.0259 BFGS: 76 16:10:35 -733.159311 0.0267 BFGS: 77 16:10:36 -733.159611 0.0263 BFGS: 78 16:10:36 -733.159896 0.0247 BFGS: 79 16:10:36 -733.160191 0.0225 BFGS: 80 16:10:37 -733.160536 0.0202 BFGS: 81 16:10:37 -733.160967 0.0183 BFGS: 82 16:10:37 -733.161478 0.0175 BFGS: 83 16:10:38 -733.162013 0.0220 BFGS: 84 16:10:38 -733.162521 0.0189 BFGS: 85 16:10:39 -733.162993 0.0187 BFGS: 86 16:10:39 -733.163439 0.0182 BFGS: 87 16:10:39 -733.163882 0.0201 BFGS: 88 16:10:39 -733.164361 0.0238 BFGS: 89 16:10:40 -733.164922 0.0221 BFGS: 90 16:10:40 -733.165573 0.0173 BFGS: 91 16:10:40 -733.166259 0.0202 BFGS: 92 16:10:40 -733.166916 0.0226 BFGS: 93 16:10:41 -733.167548 0.0191 BFGS: 94 16:10:41 -733.168184 0.0158 BFGS: 95 16:10:41 -733.168789 0.0167 BFGS: 96 16:10:41 -733.169270 0.0162 BFGS: 97 16:10:42 -733.169589 0.0118 BFGS: 98 16:10:42 -733.169785 0.0093 BFGS: 99 16:10:43 -733.169908 0.0070 BFGS: 100 16:10:43 -733.169993 0.0070 BFGS: 101 16:10:43 -733.170059 0.0060 BFGS: 102 16:10:44 -733.170114 0.0054 BFGS: 103 16:10:44 -733.170159 0.0051 BFGS: 104 16:10:45 -733.170190 0.0046 BFGS: 105 16:10:45 -733.170212 0.0034 BFGS: 106 16:10:45 -733.170228 0.0030 BFGS: 107 16:10:46 -733.170240 0.0023 BFGS: 108 16:10:46 -733.170250 0.0027 BFGS: 109 16:10:47 -733.170257 0.0023 BFGS: 110 16:10:47 -733.170263 0.0015 BFGS: 111 16:10:47 -733.170267 0.0019 BFGS: 112 16:10:48 -733.170270 0.0022 BFGS: 113 16:10:48 -733.170273 0.0017 BFGS: 114 16:10:48 -733.170276 0.0012 BFGS: 115 16:10:49 -733.170278 0.0012 BFGS: 116 16:10:49 -733.170280 0.0010 BFGS: 117 16:10:50 -733.170281 0.0009 BFGS: 118 16:10:50 -733.170282 0.0006 BFGS: 119 16:10:50 -733.170282 0.0005 BFGS: 120 16:10:51 -733.170283 0.0005 BFGS: 121 16:10:51 -733.170283 0.0005 BFGS: 122 16:10:51 -733.170283 0.0005 BFGS: 123 16:10:52 -733.170283 0.0005 BFGS: 124 16:10:52 -733.170283 0.0005 BFGS: 125 16:10:53 -733.170284 0.0006 BFGS: 126 16:10:53 -733.170284 0.0005 BFGS: 127 16:10:53 -733.170284 0.0005 BFGS: 128 16:10:54 -733.170284 0.0005 BFGS: 129 16:10:54 -733.170284 0.0005 BFGS: 130 16:10:54 -733.170284 0.0005 BFGS: 131 16:10:55 -733.170284 0.0005 BFGS: 132 16:10:55 -733.170284 0.0005 BFGS: 133 16:10:56 -733.170284 0.0005 BFGS: 134 16:10:56 -733.170284 0.0005 BFGS: 135 16:10:56 -733.170284 0.0005 BFGS: 136 16:10:57 -733.170285 0.0005 BFGS: 137 16:10:57 -733.170285 0.0004 BFGS: 138 16:10:57 -733.170285 0.0005 BFGS: 139 16:10:58 -733.170285 0.0004 BFGS: 140 16:10:58 -733.170286 0.0003 BFGS: 141 16:10:58 -733.170286 0.0003 BFGS: 142 16:10:58 -733.170286 0.0003 BFGS: 143 16:10:58 -733.170286 0.0003 BFGS: 144 16:10:58 -733.170286 0.0004 BFGS: 145 16:10:59 -733.170287 0.0004 BFGS: 146 16:10:59 -733.170287 0.0004 BFGS: 147 16:10:59 -733.170287 0.0003 BFGS: 148 16:10:59 -733.170287 0.0002 BFGS: 149 16:11:00 -733.170287 0.0002 BFGS: 150 16:11:00 -733.170287 0.0002 BFGS: 151 16:11:00 -733.170288 0.0002 BFGS: 152 16:11:01 -733.170288 0.0002 BFGS: 153 16:11:01 -733.170288 0.0003 BFGS: 154 16:11:01 -733.170288 0.0003 BFGS: 155 16:11:02 -733.170288 0.0002 BFGS: 156 16:11:02 -733.170288 0.0001 BFGS: 157 16:11:02 -733.170288 0.0001 BFGS: 158 16:11:02 -733.170288 0.0001 BFGS: 159 16:11:03 -733.170288 0.0001 BFGS: 160 16:11:03 -733.170288 0.0001 BFGS: 161 16:11:03 -733.170288 0.0001 BFGS: 162 16:11:04 -733.170288 0.0000 BFGS: 163 16:11:04 -733.170288 0.0000 BFGS: 164 16:11:05 -733.170288 0.0001 BFGS: 165 16:11:05 -733.170288 0.0001 BFGS: 166 16:11:05 -733.170288 0.0000 BFGS: 167 16:11:06 -733.170288 0.0000 BFGS: 168 16:11:06 -733.170288 0.0000 BFGS: 169 16:11:07 -733.170288 0.0000 BFGS: 170 16:11:07 -733.170288 0.0000 BFGS: 171 16:11:07 -733.170288 0.0000 BFGS: 172 16:11:08 -733.170288 0.0000 BFGS: 173 16:11:08 -733.170288 0.0000 BFGS: 174 16:11:09 -733.170288 0.0000 BFGS: 175 16:11:09 -733.170288 0.0000 BFGS: 176 16:11:09 -733.170288 0.0000 BFGS: 177 16:11:10 -733.170288 0.0000 BFGS: 178 16:11:10 -733.170288 0.0000 BFGS: 179 16:11:10 -733.170288 0.0000 BFGS: 180 16:11:10 -733.170288 0.0000 BFGS: 181 16:11:11 -733.170288 0.0000 BFGS: 182 16:11:11 -733.170288 0.0000 BFGS: 183 16:11:11 -733.170288 0.0000 BFGS: 184 16:11:11 -733.170288 0.0001 BFGS: 185 16:11:12 -733.170288 0.0001 BFGS: 186 16:11:12 -733.170288 0.0000 BFGS: 187 16:11:12 -733.170288 0.0000 BFGS: 188 16:11:12 -733.170288 0.0000 BFGS: 189 16:11:13 -733.170288 0.0000 BFGS: 190 16:11:13 -733.170288 0.0000 BFGS: 191 16:11:13 -733.170288 0.0000 BFGS: 192 16:11:14 -733.170288 0.0000 BFGS: 193 16:11:14 -733.170288 0.0000 BFGS: 194 16:11:14 -733.170288 0.0000 BFGS: 195 16:11:15 -733.170288 0.0000 BFGS: 196 16:11:15 -733.170288 0.0000 BFGS: 197 16:11:15 -733.170288 0.0000 BFGS: 198 16:11:15 -733.170288 0.0000 BFGS: 199 16:11:16 -733.170288 0.0000 BFGS: 200 16:11:16 -733.170288 0.0000 BFGS: 201 16:11:16 -733.170288 0.0000 BFGS: 202 16:11:17 -733.170288 0.0000 BFGS: 203 16:11:17 -733.170288 0.0000 BFGS: 204 16:11:17 -733.170288 0.0000 BFGS: 205 16:11:18 -733.170288 0.0000 BFGS: 206 16:11:18 -733.170288 0.0000 BFGS: 207 16:11:18 -733.170288 0.0000 BFGS: 208 16:11:19 -733.170288 0.0000 BFGS: 209 16:11:19 -733.170288 0.0000 BFGS: 210 16:11:19 -733.170288 0.0000 BFGS: 211 16:11:20 -733.170288 0.0000 BFGS: 212 16:11:20 -733.170288 0.0000 BFGS: 213 16:11:20 -733.170288 0.0000 BFGS: 214 16:11:21 -733.170288 0.0000 BFGS: 215 16:11:21 -733.170288 0.0000 BFGS: 216 16:11:21 -733.170288 0.0000 BFGS: 217 16:11:22 -733.170288 0.0000 BFGS: 218 16:11:22 -733.170288 0.0000 BFGS: 219 16:11:22 -733.170288 0.0000 BFGS: 220 16:11:23 -733.170288 0.0000 BFGS: 221 16:11:23 -733.170288 0.0000 BFGS: 222 16:11:23 -733.170288 0.0000 BFGS: 223 16:11:23 -733.170288 0.0000 BFGS: 224 16:11:24 -733.170288 0.0000 BFGS: 225 16:11:24 -733.170288 0.0000 BFGS: 226 16:11:24 -733.170288 0.0000 BFGS: 227 16:11:25 -733.170288 0.0000 BFGS: 228 16:11:25 -733.170288 0.0000 BFGS: 229 16:11:25 -733.170288 0.0000 BFGS: 230 16:11:26 -733.170288 0.0000 BFGS: 231 16:11:26 -733.170288 0.0000 BFGS: 232 16:11:26 -733.170288 0.0000 BFGS: 233 16:11:27 -733.170288 0.0000 BFGS: 234 16:11:27 -733.170288 0.0000 BFGS: 235 16:11:27 -733.170288 0.0000 BFGS: 236 16:11:28 -733.170288 0.0000 BFGS: 237 16:11:28 -733.170288 0.0000 Minimization converged after 237 steps. Maximum force component: 9.388767068471246e-09 eV/Angstrom Maximum stress component: 4.540062030060025e-11 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 = [[1.65669405e-17 4.98874607e-01 2.50000000e-01] [5.00000000e-01 9.98874607e-01 2.50000000e-01] [0.00000000e+00 5.01125393e-01 7.50000000e-01] [5.00000000e-01 1.12539303e-03 7.50000000e-01] [3.13280498e-01 9.61847791e-01 6.07497642e-01] [6.86719502e-01 9.61847791e-01 8.92502358e-01] [8.13280498e-01 4.61847791e-01 6.07497642e-01] [1.86719502e-01 4.61847791e-01 8.92502358e-01] [6.86719502e-01 3.81522087e-02 3.92502358e-01] [3.13280498e-01 3.81522087e-02 1.07497642e-01] [1.86719502e-01 5.38152209e-01 3.92502358e-01] [8.13280498e-01 5.38152209e-01 1.07497642e-01] [1.48204287e-01 6.81783530e-02 7.96817201e-01] [8.51795713e-01 6.81783530e-02 7.03182799e-01] [6.48204287e-01 5.68178353e-01 7.96817201e-01] [3.51795713e-01 5.68178353e-01 7.03182799e-01] [8.51795713e-01 9.31821647e-01 2.03182799e-01] [1.48204287e-01 9.31821647e-01 2.96817201e-01] [3.51795713e-01 4.31821647e-01 2.03182799e-01] [6.48204287e-01 4.31821647e-01 2.96817201e-01] [1.49286292e-01 9.35385161e-01 6.70655396e-01] [8.50713708e-01 9.35385161e-01 8.29344604e-01] [6.49286292e-01 4.35385161e-01 6.70655396e-01] [3.50713708e-01 4.35385161e-01 8.29344604e-01] [8.50713708e-01 6.46148389e-02 3.29344604e-01] [1.49286292e-01 6.46148389e-02 1.70655396e-01] [3.50713708e-01 5.64614839e-01 3.29344604e-01] [6.49286292e-01 5.64614839e-01 1.70655396e-01] [9.17399524e-02 9.58714504e-01 4.92895609e-01] [9.08260048e-01 9.58714504e-01 7.10439077e-03] [5.91739952e-01 4.58714504e-01 4.92895609e-01] [4.08260048e-01 4.58714504e-01 7.10439077e-03] [9.08260048e-01 4.12854965e-02 5.07104391e-01] [9.17399524e-02 4.12854965e-02 9.92895609e-01] [4.08260048e-01 5.41285496e-01 5.07104391e-01] [5.91739952e-01 5.41285496e-01 9.92895609e-01] [6.08562149e-01 3.17866247e-01 7.99457702e-01] [3.91437851e-01 3.17866247e-01 7.00542298e-01] [1.08562149e-01 8.17866247e-01 7.99457702e-01] [8.91437851e-01 8.17866247e-01 7.00542298e-01] [3.91437851e-01 6.82133753e-01 2.00542298e-01] [6.08562149e-01 6.82133753e-01 2.99457702e-01] [8.91437851e-01 1.82133753e-01 2.00542298e-01] [1.08562149e-01 1.82133753e-01 2.99457702e-01] [5.40459783e-01 2.48235918e-01 6.81287879e-01] [4.59540217e-01 2.48235918e-01 8.18712121e-01] [4.04597829e-02 7.48235918e-01 6.81287879e-01] [9.59540217e-01 7.48235918e-01 8.18712121e-01] [4.59540217e-01 7.51764082e-01 3.18712121e-01] [5.40459783e-01 7.51764082e-01 1.81287879e-01] [9.59540217e-01 2.51764082e-01 3.18712121e-01] [4.04597829e-02 2.51764082e-01 1.81287879e-01] [7.71440689e-01 1.33387216e-01 6.42778965e-01] [2.28559311e-01 1.33387216e-01 8.57221035e-01] [2.71440689e-01 6.33387216e-01 6.42778965e-01] [7.28559311e-01 6.33387216e-01 8.57221035e-01] [2.28559311e-01 8.66612784e-01 3.57221035e-01] [7.71440689e-01 8.66612784e-01 1.42778965e-01] [7.28559311e-01 3.66612784e-01 3.57221035e-01] [2.71440689e-01 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Cell([[25.131584261012414, -7.014899735280427e-20, -0.07231043687436042], [-3.974169353337238e-20, 15.069839645088786, 2.518312189065956e-19], [0.7087743425401188, 1.5863065044326871e-19, 9.726449431407845]]) forces = [[ 1.18491594e-29 -4.02328483e-09 -6.72364453e-29] [ 1.18491594e-29 -4.02328483e-09 -6.72364453e-29] [-1.06100766e-29 4.02328483e-09 6.72328802e-29] [-1.06100766e-29 4.02328483e-09 6.72328802e-29] [-1.16381044e-09 1.51559790e-09 -2.79168991e-09] [ 1.16381044e-09 1.51559790e-09 2.79168991e-09] [-1.16381044e-09 1.51559790e-09 -2.79168991e-09] [ 1.16381044e-09 1.51559790e-09 2.79168991e-09] [ 1.16381044e-09 -1.51559790e-09 2.79168991e-09] [-1.16381044e-09 -1.51559790e-09 -2.79168991e-09] [ 1.16381044e-09 -1.51559790e-09 2.79168991e-09] [-1.16381044e-09 -1.51559790e-09 -2.79168991e-09] [-5.27686351e-10 -4.12104290e-10 -1.89372932e-09] [ 5.27686351e-10 -4.12104290e-10 1.89372932e-09] [-5.27686351e-10 -4.12104290e-10 -1.89372932e-09] [ 5.27686351e-10 -4.12104290e-10 1.89372932e-09] [ 5.27686351e-10 4.12104290e-10 1.89372932e-09] [-5.27686351e-10 4.12104290e-10 -1.89372932e-09] [ 5.27686351e-10 4.12104290e-10 1.89372932e-09] [-5.27686351e-10 4.12104290e-10 -1.89372932e-09] [-3.48094323e-10 -1.29332715e-09 3.63071707e-09] [ 3.48094323e-10 -1.29332715e-09 -3.63071707e-09] [-3.48094323e-10 -1.29332715e-09 3.63071707e-09] [ 3.48094323e-10 -1.29332715e-09 -3.63071707e-09] [ 3.48094323e-10 1.29332715e-09 -3.63071707e-09] [-3.48094323e-10 1.29332715e-09 3.63071707e-09] [ 3.48094323e-10 1.29332715e-09 -3.63071707e-09] [-3.48094323e-10 1.29332715e-09 3.63071707e-09] [ 3.88854598e-09 7.80448601e-09 1.00322707e-09] [-3.88854598e-09 7.80448601e-09 -1.00322707e-09] [ 3.88854598e-09 7.80448601e-09 1.00322707e-09] [-3.88854598e-09 7.80448601e-09 -1.00322707e-09] [-3.88854598e-09 -7.80448601e-09 -1.00322707e-09] [ 3.88854598e-09 -7.80448601e-09 1.00322707e-09] [-3.88854598e-09 -7.80448601e-09 -1.00322707e-09] [ 3.88854598e-09 -7.80448601e-09 1.00322707e-09] 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[-3.83191969e-10 1.28150008e-11 -1.03262685e-09] [ 3.83191969e-10 1.28150008e-11 1.03262685e-09] [-3.83191969e-10 1.28150008e-11 -1.03262685e-09] [ 6.42081247e-10 -2.72949300e-10 -7.23803237e-10] [-6.42081247e-10 -2.72949300e-10 7.23803237e-10] [ 6.42081247e-10 -2.72949300e-10 -7.23803237e-10] [-6.42081247e-10 -2.72949300e-10 7.23803237e-10] [-6.42081247e-10 2.72949300e-10 7.23803237e-10] [ 6.42081247e-10 2.72949300e-10 -7.23803237e-10] [-6.42081247e-10 2.72949300e-10 7.23803237e-10] [ 6.42081247e-10 2.72949300e-10 -7.23803237e-10] [-9.38876707e-09 -1.04246854e-09 5.27687838e-10] [ 9.38876707e-09 -1.04246854e-09 -5.27687838e-10] [-9.38876707e-09 -1.04246854e-09 5.27687838e-10] [ 9.38876707e-09 -1.04246854e-09 -5.27687838e-10] [ 9.38876707e-09 1.04246854e-09 -5.27687838e-10] [-9.38876707e-09 1.04246854e-09 5.27687838e-10] [ 9.38876707e-09 1.04246854e-09 -5.27687838e-10] [-9.38876707e-09 1.04246854e-09 5.27687838e-10] [-5.16538239e-10 3.15369976e-09 -1.29101985e-09] [ 5.16538239e-10 3.15369976e-09 1.29101985e-09] [-5.16538239e-10 3.15369976e-09 -1.29101985e-09] [ 5.16538239e-10 3.15369976e-09 1.29101985e-09] [ 5.16538239e-10 -3.15369976e-09 1.29101985e-09] [-5.16538239e-10 -3.15369976e-09 -1.29101985e-09] [ 5.16538239e-10 -3.15369976e-09 1.29101985e-09] [-5.16538239e-10 -3.15369976e-09 -1.29101985e-09] [-6.62366697e-09 7.30279626e-09 1.88901616e-09] [ 6.62366697e-09 7.30279626e-09 -1.88901616e-09] [-6.62366697e-09 7.30279626e-09 1.88901616e-09] [ 6.62366697e-09 7.30279626e-09 -1.88901616e-09] [ 6.62366697e-09 -7.30279626e-09 -1.88901616e-09] [-6.62366697e-09 -7.30279626e-09 1.88901616e-09] [ 6.62366697e-09 -7.30279626e-09 -1.88901616e-09] [-6.62366697e-09 -7.30279626e-09 1.88901616e-09] [ 3.33271292e-09 -5.36128671e-11 5.30606688e-09] [-3.33271292e-09 -5.36128671e-11 -5.30606688e-09] [ 3.33271292e-09 -5.36128671e-11 5.30606688e-09] [-3.33271292e-09 -5.36128671e-11 -5.30606688e-09] [-3.33271292e-09 5.36128671e-11 -5.30606688e-09] [ 3.33271292e-09 5.36128671e-11 5.30606688e-09] [-3.33271292e-09 5.36128671e-11 -5.30606688e-09] [ 3.33271292e-09 5.36128671e-11 5.30606688e-09] [-1.07258112e-09 3.65490132e-09 -1.48704712e-09] [ 1.07258112e-09 3.65490132e-09 1.48704712e-09] [-1.07258112e-09 3.65490132e-09 -1.48704712e-09] [ 1.07258112e-09 3.65490132e-09 1.48704712e-09] [ 1.07258112e-09 -3.65490132e-09 1.48704712e-09] [-1.07258112e-09 -3.65490132e-09 -1.48704712e-09] [ 1.07258112e-09 -3.65490132e-09 1.48704712e-09] [-1.07258112e-09 -3.65490132e-09 -1.48704712e-09] [-7.94427900e-10 2.60007364e-09 9.66444304e-10] [ 7.94427900e-10 2.60007364e-09 -9.66444304e-10] [-7.94427900e-10 2.60007364e-09 9.66444304e-10] [ 7.94427900e-10 2.60007364e-09 -9.66444304e-10] [ 7.94427900e-10 -2.60007364e-09 -9.66444304e-10] [-7.94427900e-10 -2.60007364e-09 9.66444304e-10] [ 7.94427900e-10 -2.60007364e-09 -9.66444304e-10] [-7.94427900e-10 -2.60007364e-09 9.66444304e-10] [ 1.23750299e-10 1.48960525e-10 5.16117290e-10] [-1.23750299e-10 1.48960525e-10 -5.16117290e-10] [ 1.23750299e-10 1.48960525e-10 5.16117290e-10] [-1.23750299e-10 1.48960525e-10 -5.16117290e-10] [-1.23750299e-10 -1.48960525e-10 -5.16117290e-10] [ 1.23750299e-10 -1.48960525e-10 5.16117290e-10] [-1.23750299e-10 -1.48960525e-10 -5.16117290e-10] [ 1.23750299e-10 -1.48960525e-10 5.16117290e-10]] stress = [ 1.07623465e-11 2.68751311e-11 4.54006203e-11 -3.43905485e-32 -1.35097059e-11 2.81916221e-33] energy per atom = -4.470550537542028 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0