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: SW_StillingerWeber_1985_Si__MO_405512056662_006 ==== 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 16:10:53 -683.439676 2.0816 BFGS: 1 16:10:53 -684.255782 1.0409 BFGS: 2 16:10:54 -684.629766 0.2777 BFGS: 3 16:10:54 -684.695417 0.2523 BFGS: 4 16:10:55 -684.819775 0.2083 BFGS: 5 16:10:55 -684.871180 0.1569 BFGS: 6 16:10:55 -684.907819 0.1316 BFGS: 7 16:10:56 -684.930399 0.1029 BFGS: 8 16:10:57 -684.946996 0.0893 BFGS: 9 16:10:57 -684.955836 0.0683 BFGS: 10 16:10:57 -684.961718 0.0645 BFGS: 11 16:10:57 -684.966565 0.0671 BFGS: 12 16:10:58 -684.971135 0.0690 BFGS: 13 16:10:58 -684.975671 0.0696 BFGS: 14 16:10:58 -684.980586 0.0686 BFGS: 15 16:10:58 -684.985524 0.0662 BFGS: 16 16:10:58 -684.989435 0.0637 BFGS: 17 16:10:59 -684.992044 0.0621 BFGS: 18 16:10:59 -684.994153 0.0615 BFGS: 19 16:11:00 -684.996323 0.0614 BFGS: 20 16:11:00 -684.998332 0.0614 BFGS: 21 16:11:01 -684.999867 0.0612 BFGS: 22 16:11:01 -685.001049 0.0607 BFGS: 23 16:11:02 -685.002222 0.0598 BFGS: 24 16:11:02 -685.003589 0.0584 BFGS: 25 16:11:02 -685.005147 0.0567 BFGS: 26 16:11:03 -685.006803 0.0547 BFGS: 27 16:11:03 -685.008371 0.0526 BFGS: 28 16:11:03 -685.009633 0.0509 BFGS: 29 16:11:04 -685.010609 0.0495 BFGS: 30 16:11:04 -685.011615 0.0478 BFGS: 31 16:11:05 -685.013069 0.0451 BFGS: 32 16:11:05 -685.015246 0.0442 BFGS: 33 16:11:05 -685.017897 0.0459 BFGS: 34 16:11:06 -685.020265 0.0469 BFGS: 35 16:11:06 -685.022039 0.0459 BFGS: 36 16:11:07 -685.023583 0.0450 BFGS: 37 16:11:07 -685.025262 0.0452 BFGS: 38 16:11:07 -685.027050 0.0472 BFGS: 39 16:11:08 -685.028766 0.0504 BFGS: 40 16:11:09 -685.030369 0.0532 BFGS: 41 16:11:09 -685.031868 0.0546 BFGS: 42 16:11:10 -685.033155 0.0538 BFGS: 43 16:11:11 -685.034188 0.0517 BFGS: 44 16:11:12 -685.035145 0.0494 BFGS: 45 16:11:13 -685.036240 0.0477 BFGS: 46 16:11:14 -685.037502 0.0470 BFGS: 47 16:11:14 -685.038751 0.0478 BFGS: 48 16:11:15 -685.039836 0.0492 BFGS: 49 16:11:16 -685.040799 0.0501 BFGS: 50 16:11:17 -685.041759 0.0498 BFGS: 51 16:11:17 -685.042733 0.0481 BFGS: 52 16:11:18 -685.043637 0.0457 BFGS: 53 16:11:18 -685.044412 0.0436 BFGS: 54 16:11:19 -685.045087 0.0425 BFGS: 55 16:11:19 -685.045742 0.0422 BFGS: 56 16:11:19 -685.046442 0.0422 BFGS: 57 16:11:20 -685.047174 0.0418 BFGS: 58 16:11:20 -685.047821 0.0402 BFGS: 59 16:11:21 -685.048294 0.0379 BFGS: 60 16:11:21 -685.048657 0.0355 BFGS: 61 16:11:22 -685.049037 0.0329 BFGS: 62 16:11:22 -685.049534 0.0300 BFGS: 63 16:11:22 -685.050170 0.0272 BFGS: 64 16:11:22 -685.050878 0.0249 BFGS: 65 16:11:23 -685.051535 0.0234 BFGS: 66 16:11:23 -685.052071 0.0224 BFGS: 67 16:11:23 -685.052491 0.0213 BFGS: 68 16:11:24 -685.052842 0.0199 BFGS: 69 16:11:24 -685.053174 0.0180 BFGS: 70 16:11:25 -685.053517 0.0160 BFGS: 71 16:11:26 -685.053882 0.0152 BFGS: 72 16:11:26 -685.054272 0.0204 BFGS: 73 16:11:26 -685.054690 0.0226 BFGS: 74 16:11:27 -685.055125 0.0204 BFGS: 75 16:11:27 -685.055524 0.0140 BFGS: 76 16:11:28 -685.055828 0.0125 BFGS: 77 16:11:28 -685.056046 0.0114 BFGS: 78 16:11:29 -685.056228 0.0111 BFGS: 79 16:11:29 -685.056403 0.0102 BFGS: 80 16:11:30 -685.056554 0.0093 BFGS: 81 16:11:30 -685.056663 0.0081 BFGS: 82 16:11:31 -685.056741 0.0077 BFGS: 83 16:11:31 -685.056813 0.0079 BFGS: 84 16:11:32 -685.056887 0.0064 BFGS: 85 16:11:33 -685.056952 0.0061 BFGS: 86 16:11:33 -685.056999 0.0049 BFGS: 87 16:11:34 -685.057028 0.0049 BFGS: 88 16:11:35 -685.057052 0.0043 BFGS: 89 16:11:35 -685.057077 0.0038 BFGS: 90 16:11:36 -685.057102 0.0050 BFGS: 91 16:11:36 -685.057122 0.0042 BFGS: 92 16:11:37 -685.057134 0.0027 BFGS: 93 16:11:38 -685.057141 0.0026 BFGS: 94 16:11:38 -685.057147 0.0025 BFGS: 95 16:11:38 -685.057152 0.0024 BFGS: 96 16:11:39 -685.057159 0.0023 BFGS: 97 16:11:40 -685.057166 0.0023 BFGS: 98 16:11:40 -685.057172 0.0023 BFGS: 99 16:11:41 -685.057176 0.0023 BFGS: 100 16:11:41 -685.057178 0.0023 BFGS: 101 16:11:42 -685.057179 0.0023 BFGS: 102 16:11:42 -685.057180 0.0023 BFGS: 103 16:11:43 -685.057183 0.0022 BFGS: 104 16:11:43 -685.057185 0.0022 BFGS: 105 16:11:44 -685.057188 0.0021 BFGS: 106 16:11:44 -685.057189 0.0021 BFGS: 107 16:11:45 -685.057190 0.0021 BFGS: 108 16:11:45 -685.057192 0.0021 BFGS: 109 16:11:46 -685.057193 0.0021 BFGS: 110 16:11:46 -685.057195 0.0020 BFGS: 111 16:11:47 -685.057199 0.0019 BFGS: 112 16:11:47 -685.057203 0.0018 BFGS: 113 16:11:48 -685.057209 0.0016 BFGS: 114 16:11:48 -685.057214 0.0023 BFGS: 115 16:11:49 -685.057220 0.0027 BFGS: 116 16:11:49 -685.057225 0.0025 BFGS: 117 16:11:49 -685.057229 0.0016 BFGS: 118 16:11:50 -685.057233 0.0018 BFGS: 119 16:11:50 -685.057239 0.0019 BFGS: 120 16:11:50 -685.057245 0.0022 BFGS: 121 16:11:51 -685.057250 0.0020 BFGS: 122 16:11:51 -685.057255 0.0016 BFGS: 123 16:11:51 -685.057258 0.0015 BFGS: 124 16:11:52 -685.057260 0.0010 BFGS: 125 16:11:52 -685.057261 0.0009 BFGS: 126 16:11:53 -685.057262 0.0008 BFGS: 127 16:11:53 -685.057263 0.0009 BFGS: 128 16:11:53 -685.057264 0.0010 BFGS: 129 16:11:54 -685.057265 0.0007 BFGS: 130 16:11:54 -685.057265 0.0005 BFGS: 131 16:11:54 -685.057266 0.0004 BFGS: 132 16:11:55 -685.057266 0.0003 BFGS: 133 16:11:55 -685.057266 0.0003 BFGS: 134 16:11:55 -685.057266 0.0003 BFGS: 135 16:11:56 -685.057266 0.0003 BFGS: 136 16:11:56 -685.057266 0.0004 BFGS: 137 16:11:56 -685.057266 0.0003 BFGS: 138 16:11:57 -685.057266 0.0001 BFGS: 139 16:11:57 -685.057266 0.0001 BFGS: 140 16:11:57 -685.057266 0.0001 BFGS: 141 16:11:57 -685.057266 0.0001 BFGS: 142 16:11:57 -685.057266 0.0001 BFGS: 143 16:11:58 -685.057266 0.0001 BFGS: 144 16:11:58 -685.057266 0.0000 BFGS: 145 16:11:58 -685.057266 0.0000 BFGS: 146 16:11:58 -685.057266 0.0000 BFGS: 147 16:11:59 -685.057266 0.0000 BFGS: 148 16:11:59 -685.057266 0.0000 BFGS: 149 16:11:59 -685.057266 0.0000 BFGS: 150 16:11:59 -685.057266 0.0000 BFGS: 151 16:12:00 -685.057266 0.0000 BFGS: 152 16:12:00 -685.057266 0.0000 BFGS: 153 16:12:00 -685.057266 0.0000 BFGS: 154 16:12:00 -685.057266 0.0000 BFGS: 155 16:12:01 -685.057266 0.0000 BFGS: 156 16:12:01 -685.057266 0.0000 BFGS: 157 16:12:01 -685.057266 0.0000 BFGS: 158 16:12:01 -685.057266 0.0000 BFGS: 159 16:12:01 -685.057266 0.0000 BFGS: 160 16:12:02 -685.057266 0.0000 BFGS: 161 16:12:02 -685.057266 0.0000 BFGS: 162 16:12:02 -685.057266 0.0000 BFGS: 163 16:12:02 -685.057266 0.0000 BFGS: 164 16:12:02 -685.057266 0.0000 BFGS: 165 16:12:03 -685.057266 0.0000 BFGS: 166 16:12:03 -685.057266 0.0000 BFGS: 167 16:12:03 -685.057266 0.0000 BFGS: 168 16:12:04 -685.057266 0.0000 BFGS: 169 16:12:04 -685.057266 0.0000 BFGS: 170 16:12:04 -685.057266 0.0000 BFGS: 171 16:12:04 -685.057266 0.0000 BFGS: 172 16:12:05 -685.057266 0.0000 BFGS: 173 16:12:05 -685.057266 0.0000 BFGS: 174 16:12:05 -685.057266 0.0000 BFGS: 175 16:12:05 -685.057266 0.0000 BFGS: 176 16:12:06 -685.057266 0.0000 BFGS: 177 16:12:06 -685.057266 0.0000 BFGS: 178 16:12:06 -685.057266 0.0000 BFGS: 179 16:12:07 -685.057266 0.0000 BFGS: 180 16:12:07 -685.057266 0.0000 BFGS: 181 16:12:07 -685.057266 0.0000 BFGS: 182 16:12:08 -685.057266 0.0000 BFGS: 183 16:12:08 -685.057266 0.0000 BFGS: 184 16:12:08 -685.057266 0.0000 BFGS: 185 16:12:08 -685.057266 0.0000 BFGS: 186 16:12:09 -685.057266 0.0000 BFGS: 187 16:12:09 -685.057266 0.0000 BFGS: 188 16:12:09 -685.057266 0.0000 BFGS: 189 16:12:10 -685.057266 0.0000 BFGS: 190 16:12:10 -685.057266 0.0000 BFGS: 191 16:12:10 -685.057266 0.0000 BFGS: 192 16:12:10 -685.057266 0.0000 BFGS: 193 16:12:11 -685.057266 0.0000 BFGS: 194 16:12:11 -685.057266 0.0000 BFGS: 195 16:12:11 -685.057266 0.0000 BFGS: 196 16:12:11 -685.057266 0.0000 BFGS: 197 16:12:12 -685.057266 0.0000 BFGS: 198 16:12:12 -685.057266 0.0000 BFGS: 199 16:12:12 -685.057266 0.0000 BFGS: 200 16:12:13 -685.057266 0.0000 BFGS: 201 16:12:13 -685.057266 0.0000 BFGS: 202 16:12:13 -685.057266 0.0000 BFGS: 203 16:12:14 -685.057266 0.0000 BFGS: 204 16:12:14 -685.057266 0.0000 BFGS: 205 16:12:14 -685.057266 0.0000 BFGS: 206 16:12:14 -685.057266 0.0000 BFGS: 207 16:12:15 -685.057266 0.0000 BFGS: 208 16:12:15 -685.057266 0.0000 BFGS: 209 16:12:15 -685.057266 0.0000 BFGS: 210 16:12:15 -685.057266 0.0000 BFGS: 211 16:12:16 -685.057266 0.0000 BFGS: 212 16:12:16 -685.057266 0.0000 BFGS: 213 16:12:16 -685.057266 0.0000 BFGS: 214 16:12:17 -685.057266 0.0000 BFGS: 215 16:12:17 -685.057266 0.0000 BFGS: 216 16:12:17 -685.057266 0.0000 BFGS: 217 16:12:17 -685.057266 0.0000 BFGS: 218 16:12:18 -685.057266 0.0000 BFGS: 219 16:12:18 -685.057266 0.0000 BFGS: 220 16:12:18 -685.057266 0.0000 BFGS: 221 16:12:19 -685.057266 0.0000 BFGS: 222 16:12:19 -685.057266 0.0000 BFGS: 223 16:12:19 -685.057266 0.0000 BFGS: 224 16:12:19 -685.057266 0.0000 BFGS: 225 16:12:20 -685.057266 0.0000 BFGS: 226 16:12:20 -685.057266 0.0000 BFGS: 227 16:12:20 -685.057266 0.0000 BFGS: 228 16:12:20 -685.057266 0.0000 BFGS: 229 16:12:21 -685.057266 0.0000 BFGS: 230 16:12:21 -685.057266 0.0000 BFGS: 231 16:12:21 -685.057266 0.0000 BFGS: 232 16:12:21 -685.057266 0.0000 BFGS: 233 16:12:22 -685.057266 0.0000 BFGS: 234 16:12:22 -685.057266 0.0000 BFGS: 235 16:12:22 -685.057266 0.0000 BFGS: 236 16:12:23 -685.057266 0.0000 Minimization converged after 236 steps. Maximum force component: 9.922633417941243e-09 eV/Angstrom Maximum stress component: 3.930172030984686e-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 = [[1.85928477e-17 4.96994850e-01 2.50000000e-01] [5.00000000e-01 9.96994850e-01 2.50000000e-01] [0.00000000e+00 5.03005150e-01 7.50000000e-01] [5.00000000e-01 3.00515046e-03 7.50000000e-01] [3.13292188e-01 9.62546325e-01 6.04128888e-01] [6.86707812e-01 9.62546325e-01 8.95871112e-01] [8.13292188e-01 4.62546325e-01 6.04128888e-01] [1.86707812e-01 4.62546325e-01 8.95871112e-01] [6.86707812e-01 3.74536751e-02 3.95871112e-01] [3.13292188e-01 3.74536751e-02 1.04128888e-01] [1.86707812e-01 5.37453675e-01 3.95871112e-01] [8.13292188e-01 5.37453675e-01 1.04128888e-01] [1.47272799e-01 6.68458782e-02 7.97909756e-01] [8.52727201e-01 6.68458782e-02 7.02090244e-01] [6.47272799e-01 5.66845878e-01 7.97909756e-01] [3.52727201e-01 5.66845878e-01 7.02090244e-01] [8.52727201e-01 9.33154122e-01 2.02090244e-01] [1.47272799e-01 9.33154122e-01 2.97909756e-01] [3.52727201e-01 4.33154122e-01 2.02090244e-01] [6.47272799e-01 4.33154122e-01 2.97909756e-01] [1.48588539e-01 9.35025054e-01 6.71857740e-01] [8.51411461e-01 9.35025054e-01 8.28142260e-01] [6.48588539e-01 4.35025054e-01 6.71857740e-01] [3.51411461e-01 4.35025054e-01 8.28142260e-01] [8.51411461e-01 6.49749465e-02 3.28142260e-01] [1.48588539e-01 6.49749465e-02 1.71857740e-01] [3.51411461e-01 5.64974946e-01 3.28142260e-01] [6.48588539e-01 5.64974946e-01 1.71857740e-01] [9.17083852e-02 9.58458828e-01 4.94438024e-01] [9.08291615e-01 9.58458828e-01 5.56197627e-03] [5.91708385e-01 4.58458828e-01 4.94438024e-01] [4.08291615e-01 4.58458828e-01 5.56197627e-03] [9.08291615e-01 4.15411717e-02 5.05561976e-01] [9.17083852e-02 4.15411717e-02 9.94438024e-01] [4.08291615e-01 5.41541172e-01 5.05561976e-01] [5.91708385e-01 5.41541172e-01 9.94438024e-01] [6.07961412e-01 3.19437361e-01 8.00077869e-01] [3.92038588e-01 3.19437361e-01 6.99922131e-01] [1.07961412e-01 8.19437361e-01 8.00077869e-01] [8.92038588e-01 8.19437361e-01 6.99922131e-01] [3.92038588e-01 6.80562639e-01 1.99922131e-01] [6.07961412e-01 6.80562639e-01 3.00077869e-01] [8.92038588e-01 1.80562639e-01 1.99922131e-01] [1.07961412e-01 1.80562639e-01 3.00077869e-01] [5.40290898e-01 2.49125306e-01 6.81902183e-01] [4.59709102e-01 2.49125306e-01 8.18097817e-01] [4.02908981e-02 7.49125306e-01 6.81902183e-01] [9.59709102e-01 7.49125306e-01 8.18097817e-01] [4.59709102e-01 7.50874694e-01 3.18097817e-01] [5.40290898e-01 7.50874694e-01 1.81902183e-01] [9.59709102e-01 2.50874694e-01 3.18097817e-01] [4.02908981e-02 2.50874694e-01 1.81902183e-01] [7.72742785e-01 1.33185068e-01 6.42207641e-01] [2.27257215e-01 1.33185068e-01 8.57792359e-01] [2.72742785e-01 6.33185068e-01 6.42207641e-01] [7.27257215e-01 6.33185068e-01 8.57792359e-01] [2.27257215e-01 8.66814932e-01 3.57792359e-01] [7.72742785e-01 8.66814932e-01 1.42207641e-01] [7.27257215e-01 3.66814932e-01 3.57792359e-01] [2.72742785e-01 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1.70120699e-09 6.90110766e-09 -3.98307663e-09] [-1.70120699e-09 6.90110766e-09 3.98307663e-09] [ 1.70120699e-09 6.90110766e-09 -3.98307663e-09] [-3.12911843e-09 -1.77103007e-09 8.69441633e-09] [ 3.12911843e-09 -1.77103007e-09 -8.69441633e-09] [-3.12911843e-09 -1.77103007e-09 8.69441633e-09] [ 3.12911843e-09 -1.77103007e-09 -8.69441633e-09] [ 3.12911843e-09 1.77103007e-09 -8.69441633e-09] [-3.12911843e-09 1.77103007e-09 8.69441633e-09] [ 3.12911843e-09 1.77103007e-09 -8.69441633e-09] [-3.12911843e-09 1.77103007e-09 8.69441633e-09] [ 2.38940055e-10 -1.99036138e-10 -9.92263342e-09] [-2.38940055e-10 -1.99036138e-10 9.92263342e-09] [ 2.38940055e-10 -1.99036138e-10 -9.92263342e-09] [-2.38940055e-10 -1.99036138e-10 9.92263342e-09] [-2.38940055e-10 1.99036138e-10 9.92263342e-09] [ 2.38940055e-10 1.99036138e-10 -9.92263342e-09] [-2.38940055e-10 1.99036138e-10 9.92263342e-09] [ 2.38940055e-10 1.99036138e-10 -9.92263342e-09] [-9.12087720e-10 3.97244229e-09 7.15606912e-09] [ 9.12087720e-10 3.97244229e-09 -7.15606912e-09] [-9.12087720e-10 3.97244229e-09 7.15606912e-09] [ 9.12087720e-10 3.97244229e-09 -7.15606912e-09] [ 9.12087720e-10 -3.97244229e-09 -7.15606912e-09] [-9.12087720e-10 -3.97244229e-09 7.15606912e-09] [ 9.12087720e-10 -3.97244229e-09 -7.15606912e-09] [-9.12087720e-10 -3.97244229e-09 7.15606912e-09] [ 1.85306266e-09 1.25449397e-10 4.73544355e-09] [-1.85306266e-09 1.25449397e-10 -4.73544355e-09] [ 1.85306266e-09 1.25449397e-10 4.73544355e-09] [-1.85306266e-09 1.25449397e-10 -4.73544355e-09] [-1.85306266e-09 -1.25449397e-10 -4.73544355e-09] [ 1.85306266e-09 -1.25449397e-10 4.73544355e-09] [-1.85306266e-09 -1.25449397e-10 -4.73544355e-09] [ 1.85306266e-09 -1.25449397e-10 4.73544355e-09] [ 1.92341896e-09 -9.07868316e-10 -1.22945376e-10] [-1.92341896e-09 -9.07868316e-10 1.22945376e-10] [ 1.92341896e-09 -9.07868316e-10 -1.22945376e-10] [-1.92341896e-09 -9.07868316e-10 1.22945376e-10] [-1.92341896e-09 9.07868316e-10 1.22945376e-10] [ 1.92341896e-09 9.07868316e-10 -1.22945376e-10] [-1.92341896e-09 9.07868316e-10 1.22945376e-10] [ 1.92341896e-09 9.07868316e-10 -1.22945376e-10] [-6.13202546e-09 4.45674890e-09 -7.09695146e-10] [ 6.13202546e-09 4.45674890e-09 7.09695146e-10] [-6.13202546e-09 4.45674890e-09 -7.09695146e-10] [ 6.13202546e-09 4.45674890e-09 7.09695146e-10] [ 6.13202546e-09 -4.45674890e-09 7.09695146e-10] [-6.13202546e-09 -4.45674890e-09 -7.09695146e-10] [ 6.13202546e-09 -4.45674890e-09 7.09695146e-10] [-6.13202546e-09 -4.45674890e-09 -7.09695146e-10] [-3.81197327e-09 2.58982252e-09 5.43924678e-10] [ 3.81197327e-09 2.58982252e-09 -5.43924678e-10] [-3.81197327e-09 2.58982252e-09 5.43924678e-10] [ 3.81197327e-09 2.58982252e-09 -5.43924678e-10] [ 3.81197327e-09 -2.58982252e-09 -5.43924678e-10] [-3.81197327e-09 -2.58982252e-09 5.43924678e-10] [ 3.81197327e-09 -2.58982252e-09 -5.43924678e-10] [-3.81197327e-09 -2.58982252e-09 5.43924678e-10] [ 1.19874467e-09 2.10003087e-09 -6.08608956e-09] [-1.19874467e-09 2.10003087e-09 6.08608956e-09] [ 1.19874467e-09 2.10003087e-09 -6.08608956e-09] [-1.19874467e-09 2.10003087e-09 6.08608956e-09] [-1.19874467e-09 -2.10003087e-09 6.08608956e-09] [ 1.19874467e-09 -2.10003087e-09 -6.08608956e-09] [-1.19874467e-09 -2.10003087e-09 6.08608956e-09] [ 1.19874467e-09 -2.10003087e-09 -6.08608956e-09]] stress = [-3.52665782e-12 -3.93017203e-11 -8.32409778e-12 1.38988209e-32 1.02990126e-11 1.54145993e-32] energy per atom = -4.1771784538927434 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0