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_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 ==== 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 09:37:41 -650.105752 6.527051 BFGS: 1 09:37:42 -654.219476 3.658584 BFGS: 2 09:37:42 -656.581913 1.271445 BFGS: 3 09:37:43 -657.350439 0.736349 BFGS: 4 09:37:43 -657.644660 0.685827 BFGS: 5 09:37:43 -658.015698 0.643037 BFGS: 6 09:37:43 -658.150138 0.644120 BFGS: 7 09:37:44 -658.268459 0.648666 BFGS: 8 09:37:44 -658.366498 0.639401 BFGS: 9 09:37:45 -658.453050 0.614945 BFGS: 10 09:37:45 -658.523092 0.584282 BFGS: 11 09:37:46 -658.579798 0.554723 BFGS: 12 09:37:46 -658.628296 0.530643 BFGS: 13 09:37:46 -658.673234 0.512610 BFGS: 14 09:37:47 -658.716659 0.499149 BFGS: 15 09:37:49 -658.758915 0.488646 BFGS: 16 09:37:50 -658.799734 0.479909 BFGS: 17 09:37:51 -658.838745 0.472140 BFGS: 18 09:37:52 -658.875663 0.464827 BFGS: 19 09:37:54 -658.910321 0.457647 BFGS: 20 09:37:55 -658.942676 0.450402 BFGS: 21 09:37:56 -658.972781 0.442973 BFGS: 22 09:37:56 -659.000766 0.435294 BFGS: 23 09:37:57 -659.026817 0.427328 BFGS: 24 09:37:58 -659.051158 0.419062 BFGS: 25 09:37:59 -659.074040 0.410498 BFGS: 26 09:37:59 -659.095718 0.401646 BFGS: 27 09:38:01 -659.116445 0.392522 BFGS: 28 09:38:02 -659.136459 0.383151 BFGS: 29 09:38:03 -659.155971 0.373555 BFGS: 30 09:38:04 -659.175162 0.363763 BFGS: 31 09:38:06 -659.194179 0.353800 BFGS: 32 09:38:09 -659.213135 0.343694 BFGS: 33 09:38:10 -659.232111 0.333469 BFGS: 34 09:38:12 -659.251160 0.323148 BFGS: 35 09:38:13 -659.270312 0.312752 BFGS: 36 09:38:15 -659.289577 0.302297 BFGS: 37 09:38:16 -659.308948 0.291801 BFGS: 38 09:38:17 -659.328409 0.281278 BFGS: 39 09:38:18 -659.347932 0.270739 BFGS: 40 09:38:18 -659.367481 0.260195 BFGS: 41 09:38:21 -659.387013 0.249655 BFGS: 42 09:38:23 -659.406482 0.239127 BFGS: 43 09:38:24 -659.425838 0.228618 BFGS: 44 09:38:25 -659.445024 0.218134 BFGS: 45 09:38:27 -659.463983 0.207680 BFGS: 46 09:38:28 -659.482655 0.197262 BFGS: 47 09:38:29 -659.500975 0.186884 BFGS: 48 09:38:29 -659.518879 0.176550 BFGS: 49 09:38:30 -659.536298 0.166265 BFGS: 50 09:38:30 -659.553161 0.156031 BFGS: 51 09:38:32 -659.569396 0.145854 BFGS: 52 09:38:33 -659.584926 0.135737 BFGS: 53 09:38:35 -659.599675 0.125686 BFGS: 54 09:38:38 -659.613560 0.115706 BFGS: 55 09:38:40 -659.626496 0.105803 BFGS: 56 09:38:42 -659.638394 0.095986 BFGS: 57 09:38:44 -659.649160 0.086266 BFGS: 58 09:38:45 -659.658693 0.076660 BFGS: 59 09:38:48 -659.666885 0.067194 BFGS: 60 09:38:49 -659.673621 0.070661 BFGS: 61 09:38:51 -659.678792 0.074956 BFGS: 62 09:38:52 -659.682122 0.077641 BFGS: 63 09:38:53 -659.684168 0.076560 BFGS: 64 09:38:54 -659.688481 0.069738 BFGS: 65 09:38:55 -659.690552 0.063369 BFGS: 66 09:38:56 -659.691683 0.064861 BFGS: 67 09:38:57 -659.692625 0.066588 BFGS: 68 09:38:58 -659.694320 0.064868 BFGS: 69 09:38:58 -659.696388 0.057557 BFGS: 70 09:38:59 -659.697885 0.059795 BFGS: 71 09:39:00 -659.699006 0.062235 BFGS: 72 09:39:00 -659.699792 0.063069 BFGS: 73 09:39:01 -659.701395 0.062695 BFGS: 74 09:39:01 -659.704110 0.060084 BFGS: 75 09:39:02 -659.707883 0.052931 BFGS: 76 09:39:03 -659.711213 0.045016 BFGS: 77 09:39:04 -659.714343 0.044011 BFGS: 78 09:39:06 -659.717535 0.040058 BFGS: 79 09:39:06 -659.721311 0.039605 BFGS: 80 09:39:07 -659.724899 0.035231 BFGS: 81 09:39:08 -659.727844 0.029688 BFGS: 82 09:39:08 -659.730371 0.027157 BFGS: 83 09:39:09 -659.732508 0.026294 BFGS: 84 09:39:10 -659.734287 0.024795 BFGS: 85 09:39:10 -659.735774 0.023729 BFGS: 86 09:39:11 -659.737096 0.023026 BFGS: 87 09:39:12 -659.738470 0.021694 BFGS: 88 09:39:13 -659.739793 0.017485 BFGS: 89 09:39:13 -659.741077 0.013051 BFGS: 90 09:39:14 -659.741656 0.014036 BFGS: 91 09:39:15 -659.741871 0.013005 BFGS: 92 09:39:16 -659.742053 0.010595 BFGS: 93 09:39:16 -659.742304 0.007524 BFGS: 94 09:39:17 -659.742506 0.006802 BFGS: 95 09:39:17 -659.742597 0.006915 BFGS: 96 09:39:18 -659.742629 0.007077 BFGS: 97 09:39:18 -659.742654 0.007239 BFGS: 98 09:39:19 -659.742683 0.007308 BFGS: 99 09:39:19 -659.742705 0.007196 BFGS: 100 09:39:20 -659.742721 0.006967 BFGS: 101 09:39:20 -659.742733 0.006772 BFGS: 102 09:39:20 -659.742746 0.006824 BFGS: 103 09:39:21 -659.742760 0.006868 BFGS: 104 09:39:22 -659.742773 0.006853 BFGS: 105 09:39:22 -659.742788 0.006738 BFGS: 106 09:39:23 -659.742806 0.006483 BFGS: 107 09:39:24 -659.742826 0.006191 BFGS: 108 09:39:24 -659.742844 0.006102 BFGS: 109 09:39:25 -659.742858 0.005918 BFGS: 110 09:39:26 -659.742871 0.005664 BFGS: 111 09:39:26 -659.742887 0.005347 BFGS: 112 09:39:27 -659.742906 0.005007 BFGS: 113 09:39:28 -659.742927 0.004784 BFGS: 114 09:39:28 -659.742954 0.004814 BFGS: 115 09:39:29 -659.742988 0.004293 BFGS: 116 09:39:29 -659.743027 0.004319 BFGS: 117 09:39:30 -659.743063 0.004215 BFGS: 118 09:39:31 -659.743094 0.004523 BFGS: 119 09:39:32 -659.743121 0.004170 BFGS: 120 09:39:33 -659.743142 0.003149 BFGS: 121 09:39:34 -659.743156 0.003172 BFGS: 122 09:39:36 -659.743165 0.002362 BFGS: 123 09:39:37 -659.743174 0.002027 BFGS: 124 09:39:37 -659.743182 0.001956 BFGS: 125 09:39:37 -659.743188 0.001721 BFGS: 126 09:39:38 -659.743192 0.001519 BFGS: 127 09:39:39 -659.743195 0.001140 BFGS: 128 09:39:39 -659.743197 0.001578 BFGS: 129 09:39:40 -659.743200 0.001737 BFGS: 130 09:39:41 -659.743201 0.001328 BFGS: 131 09:39:41 -659.743203 0.000696 BFGS: 132 09:39:42 -659.743203 0.000541 BFGS: 133 09:39:43 -659.743204 0.000569 BFGS: 134 09:39:45 -659.743204 0.000454 BFGS: 135 09:39:45 -659.743204 0.000287 BFGS: 136 09:39:45 -659.743204 0.000197 BFGS: 137 09:39:46 -659.743204 0.000157 BFGS: 138 09:39:46 -659.743204 0.000136 BFGS: 139 09:39:47 -659.743204 0.000074 BFGS: 140 09:39:48 -659.743204 0.000076 BFGS: 141 09:39:49 -659.743205 0.000078 BFGS: 142 09:39:50 -659.743205 0.000077 BFGS: 143 09:39:52 -659.743205 0.000076 BFGS: 144 09:39:53 -659.743205 0.000073 BFGS: 145 09:39:53 -659.743205 0.000072 BFGS: 146 09:39:54 -659.743205 0.000071 BFGS: 147 09:39:55 -659.743205 0.000071 BFGS: 148 09:39:55 -659.743205 0.000070 BFGS: 149 09:39:56 -659.743205 0.000070 BFGS: 150 09:39:57 -659.743205 0.000069 BFGS: 151 09:39:58 -659.743205 0.000067 BFGS: 152 09:39:59 -659.743205 0.000064 BFGS: 153 09:40:00 -659.743205 0.000060 BFGS: 154 09:40:02 -659.743205 0.000055 BFGS: 155 09:40:03 -659.743205 0.000052 BFGS: 156 09:40:03 -659.743205 0.000059 BFGS: 157 09:40:04 -659.743205 0.000060 BFGS: 158 09:40:05 -659.743205 0.000058 BFGS: 159 09:40:06 -659.743205 0.000055 BFGS: 160 09:40:08 -659.743205 0.000041 BFGS: 161 09:40:08 -659.743205 0.000038 BFGS: 162 09:40:09 -659.743205 0.000029 BFGS: 163 09:40:10 -659.743205 0.000019 BFGS: 164 09:40:10 -659.743205 0.000017 BFGS: 165 09:40:11 -659.743205 0.000012 BFGS: 166 09:40:12 -659.743205 0.000010 BFGS: 167 09:40:12 -659.743205 0.000007 BFGS: 168 09:40:13 -659.743205 0.000004 BFGS: 169 09:40:14 -659.743205 0.000003 BFGS: 170 09:40:15 -659.743205 0.000003 BFGS: 171 09:40:16 -659.743205 0.000002 BFGS: 172 09:40:16 -659.743205 0.000001 BFGS: 173 09:40:17 -659.743205 0.000001 BFGS: 174 09:40:17 -659.743205 0.000001 BFGS: 175 09:40:18 -659.743205 0.000000 BFGS: 176 09:40:18 -659.743205 0.000000 BFGS: 177 09:40:19 -659.743205 0.000000 BFGS: 178 09:40:20 -659.743205 0.000000 BFGS: 179 09:40:20 -659.743205 0.000000 BFGS: 180 09:40:21 -659.743205 0.000000 BFGS: 181 09:40:21 -659.743205 0.000000 BFGS: 182 09:40:22 -659.743205 0.000000 BFGS: 183 09:40:23 -659.743205 0.000000 BFGS: 184 09:40:24 -659.743205 0.000000 BFGS: 185 09:40:25 -659.743205 0.000000 BFGS: 186 09:40:25 -659.743205 0.000000 BFGS: 187 09:40:26 -659.743205 0.000000 BFGS: 188 09:40:27 -659.743205 0.000000 BFGS: 189 09:40:29 -659.743205 0.000000 BFGS: 190 09:40:30 -659.743205 0.000000 BFGS: 191 09:40:30 -659.743205 0.000000 BFGS: 192 09:40:30 -659.743205 0.000000 BFGS: 193 09:40:31 -659.743205 0.000000 BFGS: 194 09:40:32 -659.743205 0.000000 BFGS: 195 09:40:33 -659.743205 0.000000 BFGS: 196 09:40:34 -659.743205 0.000000 BFGS: 197 09:40:35 -659.743205 0.000000 BFGS: 198 09:40:36 -659.743205 0.000000 BFGS: 199 09:40:38 -659.743205 0.000000 BFGS: 200 09:40:39 -659.743205 0.000000 BFGS: 201 09:40:40 -659.743205 0.000000 BFGS: 202 09:40:41 -659.743205 0.000000 BFGS: 203 09:40:42 -659.743205 0.000000 BFGS: 204 09:40:43 -659.743205 0.000000 BFGS: 205 09:40:43 -659.743205 0.000000 Minimization converged after 205 steps. Maximum force component: 9.32347696963598e-09 eV/Angstrom Maximum stress component: 2.2432181067954095e-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 = [[3.35331452e-17 5.00078886e-01 2.50000000e-01] [5.00000000e-01 7.88862993e-05 2.50000000e-01] [6.05750733e-17 4.99921114e-01 7.50000000e-01] [5.00000000e-01 9.99921114e-01 7.50000000e-01] [3.13742322e-01 9.63195279e-01 6.00987531e-01] [6.86257678e-01 9.63195279e-01 8.99012469e-01] [8.13742322e-01 4.63195279e-01 6.00987531e-01] [1.86257678e-01 4.63195279e-01 8.99012469e-01] [6.86257678e-01 3.68047213e-02 3.99012469e-01] [3.13742322e-01 3.68047213e-02 1.00987531e-01] [1.86257678e-01 5.36804721e-01 3.99012469e-01] [8.13742322e-01 5.36804721e-01 1.00987531e-01] [1.46907018e-01 6.73066980e-02 7.97776178e-01] [8.53092982e-01 6.73066980e-02 7.02223822e-01] [6.46907018e-01 5.67306698e-01 7.97776178e-01] [3.53092982e-01 5.67306698e-01 7.02223822e-01] [8.53092982e-01 9.32693302e-01 2.02223822e-01] [1.46907018e-01 9.32693302e-01 2.97776178e-01] [3.53092982e-01 4.32693302e-01 2.02223822e-01] [6.46907018e-01 4.32693302e-01 2.97776178e-01] [1.48882593e-01 9.35813492e-01 6.72396187e-01] [8.51117407e-01 9.35813492e-01 8.27603813e-01] [6.48882593e-01 4.35813492e-01 6.72396187e-01] [3.51117407e-01 4.35813492e-01 8.27603813e-01] [8.51117407e-01 6.41865080e-02 3.27603813e-01] [1.48882593e-01 6.41865080e-02 1.72396187e-01] [3.51117407e-01 5.64186508e-01 3.27603813e-01] [6.48882593e-01 5.64186508e-01 1.72396187e-01] [9.24919397e-02 9.58336172e-01 4.93824168e-01] [9.07508060e-01 9.58336172e-01 6.17583167e-03] [5.92491940e-01 4.58336172e-01 4.93824168e-01] [4.07508060e-01 4.58336172e-01 6.17583167e-03] [9.07508060e-01 4.16638276e-02 5.06175832e-01] [9.24919397e-02 4.16638276e-02 9.93824168e-01] [4.07508060e-01 5.41663828e-01 5.06175832e-01] [5.92491940e-01 5.41663828e-01 9.93824168e-01] [6.08274732e-01 3.21038118e-01 8.01298842e-01] [3.91725268e-01 3.21038118e-01 6.98701158e-01] [1.08274732e-01 8.21038118e-01 8.01298842e-01] [8.91725268e-01 8.21038118e-01 6.98701158e-01] [3.91725268e-01 6.78961882e-01 1.98701158e-01] [6.08274732e-01 6.78961882e-01 3.01298842e-01] [8.91725268e-01 1.78961882e-01 1.98701158e-01] [1.08274732e-01 1.78961882e-01 3.01298842e-01] [5.40161172e-01 2.50914720e-01 6.82357417e-01] [4.59838828e-01 2.50914720e-01 8.17642583e-01] [4.01611717e-02 7.50914720e-01 6.82357417e-01] [9.59838828e-01 7.50914720e-01 8.17642583e-01] [4.59838828e-01 7.49085280e-01 3.17642583e-01] [5.40161172e-01 7.49085280e-01 1.82357417e-01] [9.59838828e-01 2.49085280e-01 3.17642583e-01] [4.01611717e-02 2.49085280e-01 1.82357417e-01] [7.72235185e-01 1.32324107e-01 6.43638447e-01] [2.27764815e-01 1.32324107e-01 8.56361553e-01] [2.72235185e-01 6.32324107e-01 6.43638447e-01] [7.27764815e-01 6.32324107e-01 8.56361553e-01] [2.27764815e-01 8.67675893e-01 3.56361553e-01] [7.72235185e-01 8.67675893e-01 1.43638447e-01] [7.27764815e-01 3.67675893e-01 3.56361553e-01] [2.72235185e-01 3.67675893e-01 1.43638447e-01] [2.58971238e-01 7.73812746e-01 7.51018314e-01] [7.41028762e-01 7.73812746e-01 7.48981686e-01] [7.58971238e-01 2.73812746e-01 7.51018314e-01] [2.41028762e-01 2.73812746e-01 7.48981686e-01] [7.41028762e-01 2.26187254e-01 2.48981686e-01] [2.58971238e-01 2.26187254e-01 2.51018314e-01] [2.41028762e-01 7.26187254e-01 2.48981686e-01] [7.58971238e-01 7.26187254e-01 2.51018314e-01] [6.75208410e-01 2.28925276e-01 8.78269393e-01] [3.24791590e-01 2.28925276e-01 6.21730607e-01] [1.75208410e-01 7.28925276e-01 8.78269393e-01] [8.24791590e-01 7.28925276e-01 6.21730607e-01] [3.24791590e-01 7.71074724e-01 1.21730607e-01] [6.75208410e-01 7.71074724e-01 3.78269393e-01] [8.24791590e-01 2.71074724e-01 1.21730607e-01] [1.75208410e-01 2.71074724e-01 3.78269393e-01] [6.90977240e-01 9.18722125e-02 7.69126270e-01] [3.09022760e-01 9.18722125e-02 7.30873730e-01] [1.90977240e-01 5.91872213e-01 7.69126270e-01] [8.09022760e-01 5.91872213e-01 7.30873730e-01] [3.09022760e-01 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Cell([[25.659759791727755, -9.234008217052589e-20, -0.03536666560151203], [-5.920193935600115e-20, 15.543785057389357, 3.90429670135048e-18], [0.738495136593498, 2.562299111561414e-18, 9.911740220900604]]) forces = [[ 3.80566991e-29 -9.32347697e-09 -2.34166589e-27] [ 4.05710171e-29 -9.32347697e-09 -2.34188318e-27] [-3.56561643e-29 9.32347697e-09 2.33992146e-27] [-3.56561643e-29 9.32347697e-09 2.33992146e-27] [-2.07622545e-09 -2.02020040e-09 -3.98898028e-09] [ 2.07622545e-09 -2.02020040e-09 3.98898028e-09] [-2.07622545e-09 -2.02020040e-09 -3.98898028e-09] [ 2.07622545e-09 -2.02020040e-09 3.98898028e-09] [ 2.07622545e-09 2.02020040e-09 3.98898028e-09] [-2.07622545e-09 2.02020040e-09 -3.98898028e-09] [ 2.07622545e-09 2.02020040e-09 3.98898028e-09] [-2.07622545e-09 2.02020040e-09 -3.98898028e-09] [ 2.03469324e-09 3.11315705e-10 4.12549752e-09] [-2.03469324e-09 3.11315705e-10 -4.12549752e-09] [ 2.03469324e-09 3.11315705e-10 4.12549752e-09] [-2.03469324e-09 3.11315705e-10 -4.12549752e-09] 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6.54538048e-09] [-3.43821360e-09 2.14771074e-09 -6.54538048e-09] [ 3.43821360e-09 2.14771074e-09 6.54538048e-09] [-3.43821360e-09 2.14771074e-09 -6.54538048e-09] [-2.80479877e-09 -2.59075543e-09 -4.38375318e-10] [ 2.80479877e-09 -2.59075543e-09 4.38375318e-10] [-2.80479877e-09 -2.59075543e-09 -4.38375318e-10] [ 2.80479877e-09 -2.59075543e-09 4.38375318e-10] [ 2.80479877e-09 2.59075543e-09 4.38375318e-10] [-2.80479877e-09 2.59075543e-09 -4.38375318e-10] [ 2.80479877e-09 2.59075543e-09 4.38375318e-10] [-2.80479877e-09 2.59075543e-09 -4.38375318e-10] [ 9.17796162e-10 3.86978335e-09 -4.33773795e-09] [-9.17796162e-10 3.86978335e-09 4.33773795e-09] [ 9.17796162e-10 3.86978335e-09 -4.33773795e-09] [-9.17796162e-10 3.86978335e-09 4.33773795e-09] [-9.17796162e-10 -3.86978335e-09 4.33773795e-09] [ 9.17796162e-10 -3.86978335e-09 -4.33773795e-09] [-9.17796162e-10 -3.86978335e-09 4.33773795e-09] [ 9.17796162e-10 -3.86978335e-09 -4.33773795e-09] [-3.96767606e-10 -2.80798533e-09 2.80673768e-09] [ 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1.14940826e-09] [ 1.20599205e-09 -3.17209992e-09 -1.14940826e-09] [-1.20599205e-09 -3.17209992e-09 1.14940826e-09] [-1.20599205e-09 3.17209992e-09 1.14940826e-09] [ 1.20599205e-09 3.17209992e-09 -1.14940826e-09] [-1.20599205e-09 3.17209992e-09 1.14940826e-09] [ 1.20599205e-09 3.17209992e-09 -1.14940826e-09] [-3.03495687e-09 1.18981544e-09 -1.87447410e-09] [ 3.03495687e-09 1.18981544e-09 1.87447410e-09] [-3.03495687e-09 1.18981544e-09 -1.87447410e-09] [ 3.03495687e-09 1.18981544e-09 1.87447410e-09] [ 3.03495687e-09 -1.18981544e-09 1.87447410e-09] [-3.03495687e-09 -1.18981544e-09 -1.87447410e-09] [ 3.03495687e-09 -1.18981544e-09 1.87447410e-09] [-3.03495687e-09 -1.18981544e-09 -1.87447410e-09] [ 2.34300071e-09 -7.24616283e-10 -4.17404315e-11] [-2.34300071e-09 -7.24616283e-10 4.17404315e-11] [ 2.34300071e-09 -7.24616283e-10 -4.17404315e-11] [-2.34300071e-09 -7.24616283e-10 4.17404315e-11] [-2.34300071e-09 7.24616283e-10 4.17404315e-11] [ 2.34300071e-09 7.24616283e-10 -4.17404315e-11] [-2.34300071e-09 7.24616283e-10 4.17404315e-11] [ 2.34300071e-09 7.24616283e-10 -4.17404315e-11] [ 2.16949791e-09 -4.15344794e-09 -2.46972624e-09] [-2.16949791e-09 -4.15344794e-09 2.46972624e-09] [ 2.16949791e-09 -4.15344794e-09 -2.46972624e-09] [-2.16949791e-09 -4.15344794e-09 2.46972624e-09] [-2.16949791e-09 4.15344794e-09 2.46972624e-09] [ 2.16949791e-09 4.15344794e-09 -2.46972624e-09] [-2.16949791e-09 4.15344794e-09 2.46972624e-09] [ 2.16949791e-09 4.15344794e-09 -2.46972624e-09] [ 7.33517784e-10 -3.42633723e-09 7.29394806e-10] [-7.33517784e-10 -3.42633723e-09 -7.29394806e-10] [ 7.33517784e-10 -3.42633723e-09 7.29394806e-10] [-7.33517784e-10 -3.42633723e-09 -7.29394806e-10] [-7.33517784e-10 3.42633723e-09 -7.29394806e-10] [ 7.33517784e-10 3.42633723e-09 7.29394806e-10] [-7.33517784e-10 3.42633723e-09 -7.29394806e-10] [ 7.33517784e-10 3.42633723e-09 7.29394806e-10] [ 2.73225391e-09 -3.22024732e-10 4.31592405e-09] [-2.73225391e-09 -3.22024732e-10 -4.31592405e-09] [ 2.73225391e-09 -3.22024732e-10 4.31592405e-09] [-2.73225391e-09 -3.22024732e-10 -4.31592405e-09] [-2.73225391e-09 3.22024732e-10 -4.31592405e-09] [ 2.73225391e-09 3.22024732e-10 4.31592405e-09] [-2.73225391e-09 3.22024732e-10 -4.31592405e-09] [ 2.73225391e-09 3.22024732e-10 4.31592405e-09]] stress = [-1.78127356e-11 2.24321811e-11 -5.66896056e-12 4.98095509e-27 2.42307256e-12 -9.91421527e-32] energy per atom = -4.02282441810703 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0