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: ThreeBodyCluster_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_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 16:12:08 -837.173478 2.3533 BFGS: 1 16:12:08 -838.582140 1.2981 BFGS: 2 16:12:08 -839.306897 0.8366 BFGS: 3 16:12:08 -839.592042 0.7861 BFGS: 4 16:12:09 -840.319086 0.8136 BFGS: 5 16:12:09 -840.767853 0.6924 BFGS: 6 16:12:09 -841.004265 0.8860 BFGS: 7 16:12:09 -841.210009 0.4671 BFGS: 8 16:12:10 -841.447078 0.4133 BFGS: 9 16:12:10 -841.543360 0.2847 BFGS: 10 16:12:10 -841.598784 0.2679 BFGS: 11 16:12:11 -841.637366 0.2485 BFGS: 12 16:12:11 -841.669314 0.1629 BFGS: 13 16:12:12 -841.696078 0.1565 BFGS: 14 16:12:12 -841.720065 0.1313 BFGS: 15 16:12:12 -841.742711 0.1527 BFGS: 16 16:12:13 -841.764962 0.1703 BFGS: 17 16:12:13 -841.786105 0.1344 BFGS: 18 16:12:13 -841.805776 0.1272 BFGS: 19 16:12:13 -841.825001 0.1253 BFGS: 20 16:12:13 -841.844514 0.1324 BFGS: 21 16:12:14 -841.864193 0.1346 BFGS: 22 16:12:14 -841.881046 0.0991 BFGS: 23 16:12:14 -841.892733 0.0724 BFGS: 24 16:12:14 -841.901688 0.0740 BFGS: 25 16:12:14 -841.910836 0.0952 BFGS: 26 16:12:15 -841.920498 0.0844 BFGS: 27 16:12:15 -841.929383 0.0746 BFGS: 28 16:12:15 -841.936567 0.0680 BFGS: 29 16:12:15 -841.942544 0.0719 BFGS: 30 16:12:15 -841.948000 0.0710 BFGS: 31 16:12:16 -841.952832 0.0640 BFGS: 32 16:12:16 -841.956980 0.0676 BFGS: 33 16:12:16 -841.961122 0.0719 BFGS: 34 16:12:16 -841.966134 0.0765 BFGS: 35 16:12:17 -841.972315 0.0803 BFGS: 36 16:12:17 -841.979008 0.0820 BFGS: 37 16:12:17 -841.985112 0.0813 BFGS: 38 16:12:17 -841.990096 0.0797 BFGS: 39 16:12:17 -841.994180 0.0789 BFGS: 40 16:12:18 -841.997948 0.0798 BFGS: 41 16:12:18 -842.002265 0.0823 BFGS: 42 16:12:18 -842.008417 0.0866 BFGS: 43 16:12:18 -842.017637 0.1120 BFGS: 44 16:12:18 -842.027347 0.1202 BFGS: 45 16:12:19 -842.037715 0.1122 BFGS: 46 16:12:19 -842.048187 0.1062 BFGS: 47 16:12:19 -842.058152 0.1087 BFGS: 48 16:12:19 -842.067209 0.1099 BFGS: 49 16:12:19 -842.075344 0.1082 BFGS: 50 16:12:20 -842.080870 0.1060 BFGS: 51 16:12:20 -842.087601 0.1063 BFGS: 52 16:12:20 -842.091887 0.1043 BFGS: 53 16:12:20 -842.097182 0.1045 BFGS: 54 16:12:20 -842.103255 0.0992 BFGS: 55 16:12:21 -842.109697 0.0939 BFGS: 56 16:12:21 -842.115020 0.0862 BFGS: 57 16:12:21 -842.118226 0.0823 BFGS: 58 16:12:21 -842.121179 0.0795 BFGS: 59 16:12:21 -842.124021 0.0778 BFGS: 60 16:12:22 -842.127395 0.0759 BFGS: 61 16:12:22 -842.130783 0.0738 BFGS: 62 16:12:22 -842.134418 0.0704 BFGS: 63 16:12:22 -842.137788 0.0660 BFGS: 64 16:12:22 -842.140612 0.0613 BFGS: 65 16:12:22 -842.143080 0.0571 BFGS: 66 16:12:23 -842.145705 0.0527 BFGS: 67 16:12:23 -842.148778 0.0478 BFGS: 68 16:12:23 -842.152387 0.0468 BFGS: 69 16:12:23 -842.155946 0.0471 BFGS: 70 16:12:23 -842.159471 0.0517 BFGS: 71 16:12:24 -842.162567 0.0383 BFGS: 72 16:12:24 -842.164214 0.0357 BFGS: 73 16:12:24 -842.165656 0.0274 BFGS: 74 16:12:24 -842.166827 0.0346 BFGS: 75 16:12:25 -842.168331 0.0408 BFGS: 76 16:12:25 -842.169936 0.0346 BFGS: 77 16:12:25 -842.171520 0.0317 BFGS: 78 16:12:25 -842.172860 0.0321 BFGS: 79 16:12:25 -842.174010 0.0318 BFGS: 80 16:12:26 -842.175012 0.0312 BFGS: 81 16:12:26 -842.175870 0.0308 BFGS: 82 16:12:26 -842.176633 0.0314 BFGS: 83 16:12:26 -842.177344 0.0327 BFGS: 84 16:12:27 -842.177958 0.0342 BFGS: 85 16:12:27 -842.178450 0.0353 BFGS: 86 16:12:27 -842.178878 0.0355 BFGS: 87 16:12:28 -842.179312 0.0350 BFGS: 88 16:12:28 -842.179769 0.0338 BFGS: 89 16:12:28 -842.180220 0.0326 BFGS: 90 16:12:28 -842.180645 0.0316 BFGS: 91 16:12:29 -842.181061 0.0312 BFGS: 92 16:12:29 -842.181472 0.0311 BFGS: 93 16:12:29 -842.181860 0.0310 BFGS: 94 16:12:29 -842.182216 0.0305 BFGS: 95 16:12:29 -842.182550 0.0295 BFGS: 96 16:12:30 -842.182864 0.0283 BFGS: 97 16:12:30 -842.183144 0.0271 BFGS: 98 16:12:30 -842.183383 0.0265 BFGS: 99 16:12:31 -842.183606 0.0265 BFGS: 100 16:12:31 -842.183837 0.0268 BFGS: 101 16:12:31 -842.184065 0.0273 BFGS: 102 16:12:31 -842.184272 0.0273 BFGS: 103 16:12:32 -842.184475 0.0267 BFGS: 104 16:12:32 -842.184722 0.0254 BFGS: 105 16:12:32 -842.185062 0.0230 BFGS: 106 16:12:32 -842.185491 0.0198 BFGS: 107 16:12:33 -842.185924 0.0189 BFGS: 108 16:12:33 -842.186273 0.0152 BFGS: 109 16:12:33 -842.186548 0.0147 BFGS: 110 16:12:33 -842.186811 0.0145 BFGS: 111 16:12:34 -842.187108 0.0151 BFGS: 112 16:12:34 -842.187422 0.0132 BFGS: 113 16:12:34 -842.187708 0.0129 BFGS: 114 16:12:34 -842.187936 0.0107 BFGS: 115 16:12:35 -842.188113 0.0103 BFGS: 116 16:12:35 -842.188256 0.0089 BFGS: 117 16:12:35 -842.188378 0.0088 BFGS: 118 16:12:36 -842.188489 0.0077 BFGS: 119 16:12:36 -842.188601 0.0091 BFGS: 120 16:12:36 -842.188718 0.0090 BFGS: 121 16:12:36 -842.188823 0.0076 BFGS: 122 16:12:37 -842.188893 0.0054 BFGS: 123 16:12:37 -842.188934 0.0050 BFGS: 124 16:12:37 -842.188966 0.0047 BFGS: 125 16:12:37 -842.189003 0.0056 BFGS: 126 16:12:38 -842.189046 0.0064 BFGS: 127 16:12:38 -842.189088 0.0049 BFGS: 128 16:12:38 -842.189122 0.0036 BFGS: 129 16:12:38 -842.189144 0.0040 BFGS: 130 16:12:38 -842.189156 0.0032 BFGS: 131 16:12:39 -842.189165 0.0031 BFGS: 132 16:12:39 -842.189172 0.0031 BFGS: 133 16:12:39 -842.189180 0.0032 BFGS: 134 16:12:40 -842.189188 0.0032 BFGS: 135 16:12:40 -842.189194 0.0033 BFGS: 136 16:12:40 -842.189199 0.0033 BFGS: 137 16:12:41 -842.189204 0.0032 BFGS: 138 16:12:41 -842.189210 0.0031 BFGS: 139 16:12:41 -842.189215 0.0030 BFGS: 140 16:12:41 -842.189219 0.0030 BFGS: 141 16:12:42 -842.189222 0.0030 BFGS: 142 16:12:42 -842.189226 0.0031 BFGS: 143 16:12:42 -842.189229 0.0032 BFGS: 144 16:12:42 -842.189233 0.0032 BFGS: 145 16:12:43 -842.189237 0.0033 BFGS: 146 16:12:43 -842.189240 0.0032 BFGS: 147 16:12:43 -842.189242 0.0031 BFGS: 148 16:12:43 -842.189245 0.0030 BFGS: 149 16:12:44 -842.189248 0.0029 BFGS: 150 16:12:44 -842.189253 0.0029 BFGS: 151 16:12:44 -842.189259 0.0028 BFGS: 152 16:12:44 -842.189268 0.0028 BFGS: 153 16:12:45 -842.189278 0.0028 BFGS: 154 16:12:45 -842.189288 0.0027 BFGS: 155 16:12:45 -842.189298 0.0026 BFGS: 156 16:12:45 -842.189305 0.0024 BFGS: 157 16:12:46 -842.189311 0.0022 BFGS: 158 16:12:46 -842.189316 0.0021 BFGS: 159 16:12:46 -842.189321 0.0024 BFGS: 160 16:12:46 -842.189328 0.0024 BFGS: 161 16:12:47 -842.189335 0.0025 BFGS: 162 16:12:47 -842.189342 0.0023 BFGS: 163 16:12:47 -842.189349 0.0023 BFGS: 164 16:12:48 -842.189356 0.0026 BFGS: 165 16:12:48 -842.189363 0.0026 BFGS: 166 16:12:48 -842.189369 0.0019 BFGS: 167 16:12:49 -842.189374 0.0017 BFGS: 168 16:12:49 -842.189377 0.0017 BFGS: 169 16:12:49 -842.189380 0.0011 BFGS: 170 16:12:50 -842.189381 0.0010 BFGS: 171 16:12:50 -842.189382 0.0010 BFGS: 172 16:12:50 -842.189383 0.0007 BFGS: 173 16:12:51 -842.189383 0.0005 BFGS: 174 16:12:51 -842.189383 0.0005 BFGS: 175 16:12:51 -842.189384 0.0004 BFGS: 176 16:12:51 -842.189384 0.0003 BFGS: 177 16:12:52 -842.189384 0.0002 BFGS: 178 16:12:52 -842.189384 0.0002 BFGS: 179 16:12:52 -842.189384 0.0002 BFGS: 180 16:12:53 -842.189384 0.0002 BFGS: 181 16:12:53 -842.189384 0.0002 BFGS: 182 16:12:53 -842.189384 0.0002 BFGS: 183 16:12:53 -842.189384 0.0002 BFGS: 184 16:12:54 -842.189384 0.0002 BFGS: 185 16:12:54 -842.189384 0.0002 BFGS: 186 16:12:54 -842.189384 0.0002 BFGS: 187 16:12:54 -842.189384 0.0002 BFGS: 188 16:12:54 -842.189384 0.0002 BFGS: 189 16:12:55 -842.189384 0.0002 BFGS: 190 16:12:55 -842.189384 0.0002 BFGS: 191 16:12:55 -842.189384 0.0002 BFGS: 192 16:12:55 -842.189384 0.0002 BFGS: 193 16:12:56 -842.189384 0.0002 BFGS: 194 16:12:56 -842.189384 0.0002 BFGS: 195 16:12:57 -842.189384 0.0003 BFGS: 196 16:12:57 -842.189384 0.0003 BFGS: 197 16:12:57 -842.189385 0.0003 BFGS: 198 16:12:57 -842.189385 0.0003 BFGS: 199 16:12:58 -842.189385 0.0002 BFGS: 200 16:12:58 -842.189385 0.0001 BFGS: 201 16:12:58 -842.189385 0.0001 BFGS: 202 16:12:58 -842.189385 0.0001 BFGS: 203 16:12:59 -842.189385 0.0001 BFGS: 204 16:12:59 -842.189385 0.0001 BFGS: 205 16:12:59 -842.189385 0.0001 BFGS: 206 16:13:00 -842.189385 0.0002 BFGS: 207 16:13:00 -842.189385 0.0002 BFGS: 208 16:13:00 -842.189385 0.0001 BFGS: 209 16:13:01 -842.189385 0.0001 BFGS: 210 16:13:01 -842.189385 0.0001 BFGS: 211 16:13:01 -842.189385 0.0001 BFGS: 212 16:13:02 -842.189385 0.0001 BFGS: 213 16:13:02 -842.189385 0.0001 BFGS: 214 16:13:02 -842.189385 0.0001 BFGS: 215 16:13:03 -842.189385 0.0001 BFGS: 216 16:13:03 -842.189385 0.0001 BFGS: 217 16:13:03 -842.189385 0.0000 BFGS: 218 16:13:03 -842.189385 0.0000 BFGS: 219 16:13:04 -842.189385 0.0000 BFGS: 220 16:13:04 -842.189385 0.0000 BFGS: 221 16:13:04 -842.189385 0.0000 BFGS: 222 16:13:05 -842.189385 0.0000 BFGS: 223 16:13:05 -842.189385 0.0000 BFGS: 224 16:13:05 -842.189385 0.0000 BFGS: 225 16:13:05 -842.189385 0.0000 BFGS: 226 16:13:06 -842.189385 0.0000 BFGS: 227 16:13:06 -842.189385 0.0000 BFGS: 228 16:13:06 -842.189385 0.0000 BFGS: 229 16:13:07 -842.189385 0.0000 BFGS: 230 16:13:07 -842.189385 0.0000 BFGS: 231 16:13:07 -842.189385 0.0000 BFGS: 232 16:13:07 -842.189385 0.0000 BFGS: 233 16:13:08 -842.189385 0.0000 BFGS: 234 16:13:08 -842.189385 0.0000 BFGS: 235 16:13:08 -842.189385 0.0000 BFGS: 236 16:13:08 -842.189385 0.0000 BFGS: 237 16:13:09 -842.189385 0.0000 Minimization converged after 237 steps. Maximum force component: 5.7056777293292e-09 eV/Angstrom Maximum stress component: 1.493922304672802e-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 = [[0.00000000e+00 5.00021628e-01 2.50000000e-01] [5.00000000e-01 2.16283294e-05 2.50000000e-01] [0.00000000e+00 4.99978372e-01 7.50000000e-01] [5.00000000e-01 9.99978372e-01 7.50000000e-01] [3.04099183e-01 9.68008303e-01 5.99518888e-01] [6.95900817e-01 9.68008303e-01 9.00481112e-01] [8.04099183e-01 4.68008303e-01 5.99518888e-01] [1.95900817e-01 4.68008303e-01 9.00481112e-01] [6.95900817e-01 3.19916966e-02 4.00481112e-01] [3.04099183e-01 3.19916966e-02 9.95188879e-02] [1.95900817e-01 5.31991697e-01 4.00481112e-01] [8.04099183e-01 5.31991697e-01 9.95188879e-02] [1.45139702e-01 7.14289834e-02 8.07925678e-01] [8.54860298e-01 7.14289834e-02 6.92074322e-01] [6.45139702e-01 5.71428983e-01 8.07925678e-01] [3.54860298e-01 5.71428983e-01 6.92074322e-01] [8.54860298e-01 9.28571017e-01 1.92074322e-01] [1.45139702e-01 9.28571017e-01 3.07925678e-01] [3.54860298e-01 4.28571017e-01 1.92074322e-01] [6.45139702e-01 4.28571017e-01 3.07925678e-01] [1.45824318e-01 9.38725854e-01 6.79559547e-01] [8.54175682e-01 9.38725854e-01 8.20440453e-01] [6.45824318e-01 4.38725854e-01 6.79559547e-01] [3.54175682e-01 4.38725854e-01 8.20440453e-01] [8.54175682e-01 6.12741463e-02 3.20440453e-01] [1.45824318e-01 6.12741463e-02 1.79559547e-01] [3.54175682e-01 5.61274146e-01 3.20440453e-01] [6.45824318e-01 5.61274146e-01 1.79559547e-01] [9.00784540e-02 9.57476476e-01 5.01657637e-01] [9.09921546e-01 9.57476476e-01 9.98342363e-01] [5.90078454e-01 4.57476476e-01 5.01657637e-01] [4.09921546e-01 4.57476476e-01 9.98342363e-01] [9.09921546e-01 4.25235238e-02 4.98342363e-01] [9.00784540e-02 4.25235238e-02 1.65763713e-03] [4.09921546e-01 5.42523524e-01 4.98342363e-01] [5.90078454e-01 5.42523524e-01 1.65763713e-03] [6.04907507e-01 3.20420238e-01 8.00870653e-01] [3.95092493e-01 3.20420238e-01 6.99129347e-01] [1.04907507e-01 8.20420238e-01 8.00870653e-01] [8.95092493e-01 8.20420238e-01 6.99129347e-01] [3.95092493e-01 6.79579762e-01 1.99129347e-01] [6.04907507e-01 6.79579762e-01 3.00870653e-01] [8.95092493e-01 1.79579762e-01 1.99129347e-01] [1.04907507e-01 1.79579762e-01 3.00870653e-01] [5.39924798e-01 2.46502273e-01 6.81878277e-01] [4.60075202e-01 2.46502273e-01 8.18121723e-01] [3.99247981e-02 7.46502273e-01 6.81878277e-01] [9.60075202e-01 7.46502273e-01 8.18121723e-01] [4.60075202e-01 7.53497727e-01 3.18121723e-01] [5.39924798e-01 7.53497727e-01 1.81878277e-01] [9.60075202e-01 2.53497727e-01 3.18121723e-01] [3.99247981e-02 2.53497727e-01 1.81878277e-01] [7.83733426e-01 1.54277510e-01 6.16926193e-01] [2.16266574e-01 1.54277510e-01 8.83073807e-01] [2.83733426e-01 6.54277510e-01 6.16926193e-01] [7.16266574e-01 6.54277510e-01 8.83073807e-01] [2.16266574e-01 8.45722490e-01 3.83073807e-01] [7.83733426e-01 8.45722490e-01 1.16926193e-01] [7.16266574e-01 3.45722490e-01 3.83073807e-01] [2.83733426e-01 3.45722490e-01 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3.18597959e-01] [1.03844863e-01 8.22442329e-01 1.81402041e-01] [5.66527241e-01 6.10804242e-01 4.95469376e-01] [4.33472759e-01 6.10804242e-01 4.53062396e-03] [6.65272413e-02 1.10804242e-01 4.95469376e-01] [9.33472759e-01 1.10804242e-01 4.53062396e-03] [4.33472759e-01 3.89195758e-01 5.04530624e-01] [5.66527241e-01 3.89195758e-01 9.95469376e-01] [9.33472759e-01 8.89195758e-01 5.04530624e-01] [6.65272413e-02 8.89195758e-01 9.95469376e-01] [4.48236421e-01 8.95741504e-01 6.36432954e-01] [5.51763579e-01 8.95741504e-01 8.63567046e-01] [9.48236421e-01 3.95741504e-01 6.36432954e-01] [5.17635787e-02 3.95741504e-01 8.63567046e-01] [5.51763579e-01 1.04258496e-01 3.63567046e-01] [4.48236421e-01 1.04258496e-01 1.36432954e-01] [5.17635787e-02 6.04258496e-01 3.63567046e-01] [9.48236421e-01 6.04258496e-01 1.36432954e-01] [6.68852213e-01 7.85675867e-01 6.17625004e-01] [3.31147787e-01 7.85675867e-01 8.82374996e-01] [1.68852213e-01 2.85675867e-01 6.17625004e-01] [8.31147787e-01 2.85675867e-01 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7.78565734e-10] [ 1.61718804e-09 5.10686915e-10 -7.78565734e-10] [-1.61718804e-09 5.10686915e-10 7.78565734e-10] [ 1.61718804e-09 5.10686915e-10 -7.78565734e-10] [ 1.61718804e-09 -5.10686915e-10 -7.78565734e-10] [-1.61718804e-09 -5.10686915e-10 7.78565734e-10] [ 1.61718804e-09 -5.10686915e-10 -7.78565734e-10] [-1.61718804e-09 -5.10686915e-10 7.78565734e-10] [-1.22294072e-09 -2.08096952e-09 2.04915660e-09] [ 1.22294072e-09 -2.08096952e-09 -2.04915660e-09] [-1.22294072e-09 -2.08096952e-09 2.04915660e-09] [ 1.22294072e-09 -2.08096952e-09 -2.04915660e-09] [ 1.22294072e-09 2.08096952e-09 -2.04915660e-09] [-1.22294072e-09 2.08096952e-09 2.04915660e-09] [ 1.22294072e-09 2.08096952e-09 -2.04915660e-09] [-1.22294072e-09 2.08096952e-09 2.04915660e-09] [-5.39375540e-09 4.07932882e-09 5.70567773e-09] [ 5.39375540e-09 4.07932882e-09 -5.70567773e-09] [-5.39375540e-09 4.07932882e-09 5.70567773e-09] [ 5.39375540e-09 4.07932882e-09 -5.70567773e-09] [ 5.39375540e-09 -4.07932882e-09 -5.70567773e-09] 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1.95051816e-09 1.08445581e-09] [ 2.81351698e-09 1.95051816e-09 -1.08445581e-09] [-2.81351698e-09 1.95051816e-09 1.08445581e-09] [-2.81351698e-09 -1.95051816e-09 1.08445581e-09] [ 2.81351698e-09 -1.95051816e-09 -1.08445581e-09] [-2.81351698e-09 -1.95051816e-09 1.08445581e-09] [ 2.81351698e-09 -1.95051816e-09 -1.08445581e-09] [ 6.75853412e-10 3.56830003e-09 -2.88155422e-09] [-6.75853412e-10 3.56830003e-09 2.88155422e-09] [ 6.75853412e-10 3.56830003e-09 -2.88155422e-09] [-6.75853412e-10 3.56830003e-09 2.88155422e-09] [-6.75853412e-10 -3.56830003e-09 2.88155422e-09] [ 6.75853412e-10 -3.56830003e-09 -2.88155422e-09] [-6.75853412e-10 -3.56830003e-09 2.88155422e-09] [ 6.75853412e-10 -3.56830003e-09 -2.88155422e-09] [-7.67395272e-10 6.27655351e-10 1.48756332e-09] [ 7.67395272e-10 6.27655351e-10 -1.48756332e-09] [-7.67395272e-10 6.27655351e-10 1.48756332e-09] [ 7.67395272e-10 6.27655351e-10 -1.48756332e-09] [ 7.67395272e-10 -6.27655351e-10 -1.48756332e-09] [-7.67395272e-10 -6.27655351e-10 1.48756332e-09] [ 7.67395272e-10 -6.27655351e-10 -1.48756332e-09] [-7.67395272e-10 -6.27655351e-10 1.48756332e-09] [-1.90195139e-09 2.54555182e-09 -2.30527749e-09] [ 1.90195139e-09 2.54555182e-09 2.30527749e-09] [-1.90195139e-09 2.54555182e-09 -2.30527749e-09] [ 1.90195139e-09 2.54555182e-09 2.30527749e-09] [ 1.90195139e-09 -2.54555182e-09 2.30527749e-09] [-1.90195139e-09 -2.54555182e-09 -2.30527749e-09] [ 1.90195139e-09 -2.54555182e-09 2.30527749e-09] [-1.90195139e-09 -2.54555182e-09 -2.30527749e-09] [ 8.84098770e-10 -2.35423774e-10 -3.67851225e-10] [-8.84098770e-10 -2.35423774e-10 3.67851225e-10] [ 8.84098770e-10 -2.35423774e-10 -3.67851225e-10] [-8.84098770e-10 -2.35423774e-10 3.67851225e-10] [-8.84098770e-10 2.35423774e-10 3.67851225e-10] [ 8.84098770e-10 2.35423774e-10 -3.67851225e-10] [-8.84098770e-10 2.35423774e-10 3.67851225e-10] [ 8.84098770e-10 2.35423774e-10 -3.67851225e-10] [ 2.34117786e-11 -1.41499819e-09 -3.19081590e-09] [-2.34117786e-11 -1.41499819e-09 3.19081590e-09] [ 2.34117786e-11 -1.41499819e-09 -3.19081590e-09] [-2.34117786e-11 -1.41499819e-09 3.19081590e-09] [-2.34117786e-11 1.41499819e-09 3.19081590e-09] [ 2.34117786e-11 1.41499819e-09 -3.19081590e-09] [-2.34117786e-11 1.41499819e-09 3.19081590e-09] [ 2.34117786e-11 1.41499819e-09 -3.19081590e-09] [ 2.10461683e-09 -1.45357694e-09 1.10326082e-09] [-2.10461683e-09 -1.45357694e-09 -1.10326082e-09] [ 2.10461683e-09 -1.45357694e-09 1.10326082e-09] [-2.10461683e-09 -1.45357694e-09 -1.10326082e-09] [-2.10461683e-09 1.45357694e-09 -1.10326082e-09] [ 2.10461683e-09 1.45357694e-09 1.10326082e-09] [-2.10461683e-09 1.45357694e-09 -1.10326082e-09] [ 2.10461683e-09 1.45357694e-09 1.10326082e-09] [-2.65836315e-09 1.06914715e-09 -2.96283232e-09] [ 2.65836315e-09 1.06914715e-09 2.96283232e-09] [-2.65836315e-09 1.06914715e-09 -2.96283232e-09] [ 2.65836315e-09 1.06914715e-09 2.96283232e-09] [ 2.65836315e-09 -1.06914715e-09 2.96283232e-09] [-2.65836315e-09 -1.06914715e-09 -2.96283232e-09] [ 2.65836315e-09 -1.06914715e-09 2.96283232e-09] [-2.65836315e-09 -1.06914715e-09 -2.96283232e-09] [ 3.73669952e-10 -7.12070278e-10 1.51032827e-09] [-3.73669952e-10 -7.12070278e-10 -1.51032827e-09] [ 3.73669952e-10 -7.12070278e-10 1.51032827e-09] [-3.73669952e-10 -7.12070278e-10 -1.51032827e-09] [-3.73669952e-10 7.12070278e-10 -1.51032827e-09] [ 3.73669952e-10 7.12070278e-10 1.51032827e-09] [-3.73669952e-10 7.12070278e-10 -1.51032827e-09] [ 3.73669952e-10 7.12070278e-10 1.51032827e-09] [-6.12358157e-10 1.21443091e-09 1.20356487e-09] [ 6.12358157e-10 1.21443091e-09 -1.20356487e-09] [-6.12358157e-10 1.21443091e-09 1.20356487e-09] [ 6.12358157e-10 1.21443091e-09 -1.20356487e-09] [ 6.12358157e-10 -1.21443091e-09 -1.20356487e-09] [-6.12358157e-10 -1.21443091e-09 1.20356487e-09] [ 6.12358157e-10 -1.21443091e-09 -1.20356487e-09] [-6.12358157e-10 -1.21443091e-09 1.20356487e-09] [-9.41975697e-11 -9.76403802e-10 6.51482069e-10] [ 9.41975697e-11 -9.76403802e-10 -6.51482069e-10] [-9.41975697e-11 -9.76403802e-10 6.51482069e-10] [ 9.41975697e-11 -9.76403802e-10 -6.51482069e-10] [ 9.41975697e-11 9.76403802e-10 -6.51482069e-10] [-9.41975697e-11 9.76403802e-10 6.51482069e-10] [ 9.41975697e-11 9.76403802e-10 -6.51482069e-10] [-9.41975697e-11 9.76403802e-10 6.51482069e-10]] stress = [-3.90923785e-12 1.86009733e-12 6.86794443e-13 -9.33717650e-31 1.49392230e-11 2.75305131e-31] energy per atom = -5.135301129814652 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0