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: MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 ==== 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 15:18:57 -725.136459 1.176364 BFGS: 1 15:18:57 -725.734429 0.772942 BFGS: 2 15:18:57 -726.193000 0.339702 BFGS: 3 15:18:57 -726.245970 0.340799 BFGS: 4 15:18:58 -726.354300 0.338931 BFGS: 5 15:18:58 -726.387155 0.334791 BFGS: 6 15:18:58 -726.416705 0.327910 BFGS: 7 15:18:58 -726.442731 0.319815 BFGS: 8 15:18:59 -726.469679 0.309932 BFGS: 9 15:19:00 -726.490438 0.302278 BFGS: 10 15:19:01 -726.511473 0.295378 BFGS: 11 15:19:01 -726.538659 0.286901 BFGS: 12 15:19:01 -726.566381 0.278429 BFGS: 13 15:19:02 -726.595070 0.269599 BFGS: 14 15:19:03 -726.624062 0.260364 BFGS: 15 15:19:04 -726.652806 0.250757 BFGS: 16 15:19:06 -726.680973 0.240833 BFGS: 17 15:19:08 -726.708398 0.230647 BFGS: 18 15:19:09 -726.735000 0.220248 BFGS: 19 15:19:10 -726.760747 0.209678 BFGS: 20 15:19:12 -726.785622 0.198972 BFGS: 21 15:19:14 -726.809616 0.188159 BFGS: 22 15:19:15 -726.832721 0.177263 BFGS: 23 15:19:15 -726.854929 0.166378 BFGS: 24 15:19:16 -726.876230 0.156771 BFGS: 25 15:19:16 -726.896612 0.147036 BFGS: 26 15:19:18 -726.916066 0.137178 BFGS: 27 15:19:18 -726.934580 0.131257 BFGS: 28 15:19:19 -726.952142 0.127042 BFGS: 29 15:19:19 -726.968742 0.121679 BFGS: 30 15:19:20 -726.984369 0.115238 BFGS: 31 15:19:20 -726.999013 0.107779 BFGS: 32 15:19:20 -727.012666 0.099348 BFGS: 33 15:19:21 -727.025323 0.089977 BFGS: 34 15:19:21 -727.036979 0.079716 BFGS: 35 15:19:22 -727.047639 0.081427 BFGS: 36 15:19:22 -727.057318 0.082003 BFGS: 37 15:19:23 -727.066054 0.080305 BFGS: 38 15:19:24 -727.073948 0.075396 BFGS: 39 15:19:24 -727.081274 0.065007 BFGS: 40 15:19:24 -727.086775 0.051501 BFGS: 41 15:19:26 -727.092574 0.037653 BFGS: 42 15:19:27 -727.097177 0.033410 BFGS: 43 15:19:28 -727.099021 0.030309 BFGS: 44 15:19:30 -727.100076 0.024619 BFGS: 45 15:19:30 -727.101363 0.020078 BFGS: 46 15:19:31 -727.102784 0.016019 BFGS: 47 15:19:31 -727.103663 0.015569 BFGS: 48 15:19:32 -727.104019 0.015690 BFGS: 49 15:19:32 -727.104244 0.016444 BFGS: 50 15:19:32 -727.104516 0.015912 BFGS: 51 15:19:33 -727.104750 0.014206 BFGS: 52 15:19:34 -727.104874 0.012654 BFGS: 53 15:19:34 -727.104936 0.012023 BFGS: 54 15:19:35 -727.104998 0.011913 BFGS: 55 15:19:35 -727.105071 0.012326 BFGS: 56 15:19:35 -727.105127 0.013020 BFGS: 57 15:19:35 -727.105160 0.013464 BFGS: 58 15:19:36 -727.105187 0.013555 BFGS: 59 15:19:36 -727.105223 0.013276 BFGS: 60 15:19:36 -727.105267 0.012557 BFGS: 61 15:19:36 -727.105309 0.011656 BFGS: 62 15:19:36 -727.105349 0.010905 BFGS: 63 15:19:36 -727.105400 0.010317 BFGS: 64 15:19:37 -727.105474 0.009947 BFGS: 65 15:19:37 -727.105561 0.009955 BFGS: 66 15:19:37 -727.105634 0.010234 BFGS: 67 15:19:37 -727.105692 0.010404 BFGS: 68 15:19:38 -727.105753 0.010218 BFGS: 69 15:19:38 -727.105837 0.009399 BFGS: 70 15:19:39 -727.105937 0.007833 BFGS: 71 15:19:39 -727.106036 0.008484 BFGS: 72 15:19:39 -727.106129 0.008456 BFGS: 73 15:19:40 -727.106232 0.007551 BFGS: 74 15:19:41 -727.106344 0.007103 BFGS: 75 15:19:41 -727.106441 0.007010 BFGS: 76 15:19:42 -727.106507 0.006299 BFGS: 77 15:19:42 -727.106555 0.004904 BFGS: 78 15:19:42 -727.106592 0.003842 BFGS: 79 15:19:42 -727.106615 0.002653 BFGS: 80 15:19:43 -727.106625 0.001952 BFGS: 81 15:19:43 -727.106630 0.001506 BFGS: 82 15:19:43 -727.106634 0.001324 BFGS: 83 15:19:44 -727.106638 0.001693 BFGS: 84 15:19:44 -727.106641 0.001557 BFGS: 85 15:19:44 -727.106643 0.000990 BFGS: 86 15:19:45 -727.106645 0.000865 BFGS: 87 15:19:45 -727.106646 0.000729 BFGS: 88 15:19:46 -727.106646 0.000584 BFGS: 89 15:19:46 -727.106647 0.000479 BFGS: 90 15:19:47 -727.106647 0.000354 BFGS: 91 15:19:47 -727.106647 0.000333 BFGS: 92 15:19:48 -727.106648 0.000335 BFGS: 93 15:19:48 -727.106648 0.000280 BFGS: 94 15:19:48 -727.106648 0.000264 BFGS: 95 15:19:49 -727.106648 0.000260 BFGS: 96 15:19:49 -727.106648 0.000258 BFGS: 97 15:19:49 -727.106648 0.000258 BFGS: 98 15:19:49 -727.106648 0.000256 BFGS: 99 15:19:50 -727.106648 0.000253 BFGS: 100 15:19:50 -727.106648 0.000251 BFGS: 101 15:19:50 -727.106648 0.000249 BFGS: 102 15:19:50 -727.106648 0.000246 BFGS: 103 15:19:50 -727.106648 0.000243 BFGS: 104 15:19:50 -727.106648 0.000238 BFGS: 105 15:19:51 -727.106648 0.000231 BFGS: 106 15:19:51 -727.106648 0.000220 BFGS: 107 15:19:51 -727.106648 0.000205 BFGS: 108 15:19:51 -727.106648 0.000192 BFGS: 109 15:19:52 -727.106648 0.000181 BFGS: 110 15:19:52 -727.106648 0.000175 BFGS: 111 15:19:53 -727.106648 0.000216 BFGS: 112 15:19:53 -727.106649 0.000218 BFGS: 113 15:19:53 -727.106649 0.000172 BFGS: 114 15:19:54 -727.106649 0.000172 BFGS: 115 15:19:54 -727.106649 0.000161 BFGS: 116 15:19:54 -727.106649 0.000176 BFGS: 117 15:19:55 -727.106649 0.000160 BFGS: 118 15:19:55 -727.106649 0.000133 BFGS: 119 15:19:55 -727.106649 0.000095 BFGS: 120 15:19:56 -727.106649 0.000089 BFGS: 121 15:19:56 -727.106649 0.000089 BFGS: 122 15:19:57 -727.106649 0.000069 BFGS: 123 15:19:57 -727.106649 0.000067 BFGS: 124 15:19:57 -727.106649 0.000053 BFGS: 125 15:19:58 -727.106649 0.000045 BFGS: 126 15:19:58 -727.106649 0.000053 BFGS: 127 15:19:58 -727.106649 0.000049 BFGS: 128 15:19:59 -727.106649 0.000033 BFGS: 129 15:19:59 -727.106649 0.000028 BFGS: 130 15:19:59 -727.106649 0.000022 BFGS: 131 15:19:59 -727.106649 0.000017 BFGS: 132 15:20:00 -727.106649 0.000013 BFGS: 133 15:20:00 -727.106649 0.000010 BFGS: 134 15:20:00 -727.106649 0.000006 BFGS: 135 15:20:00 -727.106649 0.000004 BFGS: 136 15:20:01 -727.106649 0.000004 BFGS: 137 15:20:01 -727.106649 0.000004 BFGS: 138 15:20:02 -727.106649 0.000003 BFGS: 139 15:20:02 -727.106649 0.000003 BFGS: 140 15:20:02 -727.106649 0.000004 BFGS: 141 15:20:02 -727.106649 0.000004 BFGS: 142 15:20:02 -727.106649 0.000004 BFGS: 143 15:20:03 -727.106649 0.000004 BFGS: 144 15:20:03 -727.106649 0.000004 BFGS: 145 15:20:03 -727.106649 0.000003 BFGS: 146 15:20:03 -727.106649 0.000003 BFGS: 147 15:20:03 -727.106649 0.000003 BFGS: 148 15:20:03 -727.106649 0.000003 BFGS: 149 15:20:03 -727.106649 0.000003 BFGS: 150 15:20:04 -727.106649 0.000003 BFGS: 151 15:20:04 -727.106649 0.000003 BFGS: 152 15:20:04 -727.106649 0.000003 BFGS: 153 15:20:04 -727.106649 0.000004 BFGS: 154 15:20:04 -727.106649 0.000004 BFGS: 155 15:20:04 -727.106649 0.000002 BFGS: 156 15:20:05 -727.106649 0.000002 BFGS: 157 15:20:05 -727.106649 0.000002 BFGS: 158 15:20:05 -727.106649 0.000002 BFGS: 159 15:20:05 -727.106649 0.000001 BFGS: 160 15:20:06 -727.106649 0.000001 BFGS: 161 15:20:06 -727.106649 0.000001 BFGS: 162 15:20:06 -727.106649 0.000001 BFGS: 163 15:20:06 -727.106649 0.000000 BFGS: 164 15:20:06 -727.106649 0.000000 BFGS: 165 15:20:06 -727.106649 0.000000 BFGS: 166 15:20:07 -727.106649 0.000000 BFGS: 167 15:20:07 -727.106649 0.000000 BFGS: 168 15:20:07 -727.106649 0.000000 BFGS: 169 15:20:07 -727.106649 0.000000 BFGS: 170 15:20:07 -727.106649 0.000000 BFGS: 171 15:20:08 -727.106649 0.000000 BFGS: 172 15:20:08 -727.106649 0.000000 BFGS: 173 15:20:08 -727.106649 0.000000 BFGS: 174 15:20:08 -727.106649 0.000000 BFGS: 175 15:20:08 -727.106649 0.000000 BFGS: 176 15:20:08 -727.106649 0.000000 BFGS: 177 15:20:08 -727.106649 0.000000 BFGS: 178 15:20:08 -727.106649 0.000000 BFGS: 179 15:20:09 -727.106649 0.000000 BFGS: 180 15:20:09 -727.106649 0.000000 BFGS: 181 15:20:09 -727.106649 0.000000 BFGS: 182 15:20:09 -727.106649 0.000000 BFGS: 183 15:20:09 -727.106649 0.000000 BFGS: 184 15:20:09 -727.106649 0.000000 BFGS: 185 15:20:09 -727.106649 0.000000 BFGS: 186 15:20:09 -727.106649 0.000000 BFGS: 187 15:20:10 -727.106649 0.000000 BFGS: 188 15:20:10 -727.106649 0.000000 BFGS: 189 15:20:10 -727.106649 0.000000 BFGS: 190 15:20:10 -727.106649 0.000000 BFGS: 191 15:20:10 -727.106649 0.000000 BFGS: 192 15:20:10 -727.106649 0.000000 BFGS: 193 15:20:11 -727.106649 0.000000 BFGS: 194 15:20:11 -727.106649 0.000000 BFGS: 195 15:20:11 -727.106649 0.000000 BFGS: 196 15:20:11 -727.106649 0.000000 BFGS: 197 15:20:12 -727.106649 0.000000 BFGS: 198 15:20:12 -727.106649 0.000000 BFGS: 199 15:20:12 -727.106649 0.000000 BFGS: 200 15:20:12 -727.106649 0.000000 BFGS: 201 15:20:12 -727.106649 0.000000 BFGS: 202 15:20:12 -727.106649 0.000000 BFGS: 203 15:20:12 -727.106649 0.000000 BFGS: 204 15:20:13 -727.106649 0.000000 BFGS: 205 15:20:13 -727.106649 0.000000 BFGS: 206 15:20:13 -727.106649 0.000000 Minimization converged after 206 steps. Maximum force component: 8.079628910362402e-09 eV/Angstrom Maximum stress component: 2.667775118772522e-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 = [[1.31918935e-17 4.99000237e-01 2.50000000e-01] [5.00000000e-01 9.99000237e-01 2.50000000e-01] [7.36462867e-21 5.00999763e-01 7.50000000e-01] [5.00000000e-01 9.99762632e-04 7.50000000e-01] [3.09234031e-01 9.65942169e-01 5.98933695e-01] [6.90765969e-01 9.65942169e-01 9.01066305e-01] [8.09234031e-01 4.65942169e-01 5.98933695e-01] [1.90765969e-01 4.65942169e-01 9.01066305e-01] [6.90765969e-01 3.40578311e-02 4.01066305e-01] [3.09234031e-01 3.40578311e-02 9.89336947e-02] [1.90765969e-01 5.34057831e-01 4.01066305e-01] [8.09234031e-01 5.34057831e-01 9.89336947e-02] [1.48274558e-01 6.69957915e-02 7.98815803e-01] [8.51725442e-01 6.69957915e-02 7.01184197e-01] [6.48274558e-01 5.66995791e-01 7.98815803e-01] [3.51725442e-01 5.66995791e-01 7.01184197e-01] [8.51725442e-01 9.33004209e-01 2.01184197e-01] [1.48274558e-01 9.33004209e-01 2.98815803e-01] [3.51725442e-01 4.33004209e-01 2.01184197e-01] [6.48274558e-01 4.33004209e-01 2.98815803e-01] [1.49665639e-01 9.34611442e-01 6.74255235e-01] [8.50334361e-01 9.34611442e-01 8.25744765e-01] [6.49665639e-01 4.34611442e-01 6.74255235e-01] [3.50334361e-01 4.34611442e-01 8.25744765e-01] [8.50334361e-01 6.53885583e-02 3.25744765e-01] [1.49665639e-01 6.53885583e-02 1.74255235e-01] [3.50334361e-01 5.65388558e-01 3.25744765e-01] [6.49665639e-01 5.65388558e-01 1.74255235e-01] [9.11663754e-02 9.58598628e-01 4.96334988e-01] [9.08833625e-01 9.58598628e-01 3.66501157e-03] [5.91166375e-01 4.58598628e-01 4.96334988e-01] [4.08833625e-01 4.58598628e-01 3.66501157e-03] [9.08833625e-01 4.14013723e-02 5.03665012e-01] [9.11663754e-02 4.14013723e-02 9.96334988e-01] [4.08833625e-01 5.41401372e-01 5.03665012e-01] [5.91166375e-01 5.41401372e-01 9.96334988e-01] [6.08563761e-01 3.15317446e-01 8.01968547e-01] [3.91436239e-01 3.15317446e-01 6.98031453e-01] [1.08563761e-01 8.15317446e-01 8.01968547e-01] [8.91436239e-01 8.15317446e-01 6.98031453e-01] [3.91436239e-01 6.84682554e-01 1.98031453e-01] [6.08563761e-01 6.84682554e-01 3.01968547e-01] [8.91436239e-01 1.84682554e-01 1.98031453e-01] [1.08563761e-01 1.84682554e-01 3.01968547e-01] [5.41261406e-01 2.46516086e-01 6.82489801e-01] [4.58738594e-01 2.46516086e-01 8.17510199e-01] [4.12614064e-02 7.46516086e-01 6.82489801e-01] [9.58738594e-01 7.46516086e-01 8.17510199e-01] [4.58738594e-01 7.53483914e-01 3.17510199e-01] [5.41261406e-01 7.53483914e-01 1.82489801e-01] [9.58738594e-01 2.53483914e-01 3.17510199e-01] [4.12614064e-02 2.53483914e-01 1.82489801e-01] [7.73655091e-01 1.30710496e-01 6.37847743e-01] [2.26344909e-01 1.30710496e-01 8.62152257e-01] [2.73655091e-01 6.30710496e-01 6.37847743e-01] [7.26344909e-01 6.30710496e-01 8.62152257e-01] [2.26344909e-01 8.69289504e-01 3.62152257e-01] [7.73655091e-01 8.69289504e-01 1.37847743e-01] [7.26344909e-01 3.69289504e-01 3.62152257e-01] [2.73655091e-01 3.69289504e-01 1.37847743e-01] [2.55459602e-01 7.67711390e-01 7.52543609e-01] [7.44540398e-01 7.67711390e-01 7.47456391e-01] [7.55459602e-01 2.67711390e-01 7.52543609e-01] [2.44540398e-01 2.67711390e-01 7.47456391e-01] [7.44540398e-01 2.32288610e-01 2.47456391e-01] [2.55459602e-01 2.32288610e-01 2.52543609e-01] [2.44540398e-01 7.32288610e-01 2.47456391e-01] [7.55459602e-01 7.32288610e-01 2.52543609e-01] [6.74022586e-01 2.24152247e-01 8.82684424e-01] [3.25977414e-01 2.24152247e-01 6.17315576e-01] [1.74022586e-01 7.24152247e-01 8.82684424e-01] [8.25977414e-01 7.24152247e-01 6.17315576e-01] [3.25977414e-01 7.75847753e-01 1.17315576e-01] [6.74022586e-01 7.75847753e-01 3.82684424e-01] [8.25977414e-01 2.75847753e-01 1.17315576e-01] [1.74022586e-01 2.75847753e-01 3.82684424e-01] [6.93714302e-01 9.25415375e-02 7.68514031e-01] [3.06285698e-01 9.25415375e-02 7.31485969e-01] [1.93714302e-01 5.92541538e-01 7.68514031e-01] [8.06285698e-01 5.92541538e-01 7.31485969e-01] [3.06285698e-01 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-1.09885975e-10] [-3.93223039e-09 -2.25175600e-09 1.09885975e-10] [ 3.93223039e-09 -2.25175600e-09 -1.09885975e-10] [ 3.93223039e-09 2.25175600e-09 -1.09885975e-10] [-3.93223039e-09 2.25175600e-09 1.09885975e-10] [ 3.93223039e-09 2.25175600e-09 -1.09885975e-10] [-3.93223039e-09 2.25175600e-09 1.09885975e-10] [-3.73260759e-10 -6.97793689e-09 1.44331481e-09] [ 3.73260759e-10 -6.97793689e-09 -1.44331481e-09] [-3.73260759e-10 -6.97793689e-09 1.44331481e-09] [ 3.73260759e-10 -6.97793689e-09 -1.44331481e-09] [ 3.73260759e-10 6.97793689e-09 -1.44331481e-09] [-3.73260759e-10 6.97793689e-09 1.44331481e-09] [ 3.73260759e-10 6.97793689e-09 -1.44331481e-09] [-3.73260759e-10 6.97793689e-09 1.44331481e-09] [-5.79747576e-09 -1.60728346e-09 7.57692746e-09] [ 5.79747576e-09 -1.60728346e-09 -7.57692746e-09] [-5.79747576e-09 -1.60728346e-09 7.57692746e-09] [ 5.79747576e-09 -1.60728346e-09 -7.57692746e-09] [ 5.79747576e-09 1.60728346e-09 -7.57692746e-09] [-5.79747576e-09 1.60728346e-09 7.57692746e-09] [ 5.79747576e-09 1.60728346e-09 -7.57692746e-09] [-5.79747576e-09 1.60728346e-09 7.57692746e-09] [ 3.47926458e-10 -5.08289488e-09 -1.64970509e-10] [-3.47926458e-10 -5.08289488e-09 1.64970509e-10] [ 3.47926458e-10 -5.08289488e-09 -1.64970509e-10] [-3.47926458e-10 -5.08289488e-09 1.64970509e-10] [-3.47926458e-10 5.08289488e-09 1.64970509e-10] [ 3.47926458e-10 5.08289488e-09 -1.64970509e-10] [-3.47926458e-10 5.08289488e-09 1.64970509e-10] [ 3.47926458e-10 5.08289488e-09 -1.64970509e-10] [ 5.17489091e-09 6.53666121e-10 -5.05474901e-09] [-5.17489091e-09 6.53666121e-10 5.05474901e-09] [ 5.17489091e-09 6.53666121e-10 -5.05474901e-09] [-5.17489091e-09 6.53666121e-10 5.05474901e-09] [-5.17489091e-09 -6.53666121e-10 5.05474901e-09] [ 5.17489091e-09 -6.53666121e-10 -5.05474901e-09] [-5.17489091e-09 -6.53666121e-10 5.05474901e-09] [ 5.17489091e-09 -6.53666121e-10 -5.05474901e-09] [ 5.07455723e-09 2.47099023e-09 -1.31286463e-09] [-5.07455723e-09 2.47099023e-09 1.31286463e-09] [ 5.07455723e-09 2.47099023e-09 -1.31286463e-09] [-5.07455723e-09 2.47099023e-09 1.31286463e-09] [-5.07455723e-09 -2.47099023e-09 1.31286463e-09] [ 5.07455723e-09 -2.47099023e-09 -1.31286463e-09] [-5.07455723e-09 -2.47099023e-09 1.31286463e-09] [ 5.07455723e-09 -2.47099023e-09 -1.31286463e-09]] stress = [ 2.66777512e-11 -1.20620032e-11 1.27506641e-11 -2.67860951e-27 -1.23985224e-11 7.59781289e-31] energy per atom = -4.4335771274208 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0