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 16:11:31 -650.105752 6.5271 BFGS: 1 16:11:31 -654.219476 3.6586 BFGS: 2 16:11:32 -656.581913 1.2714 BFGS: 3 16:11:32 -657.350439 0.7363 BFGS: 4 16:11:33 -657.644660 0.6858 BFGS: 5 16:11:33 -658.015698 0.6430 BFGS: 6 16:11:33 -658.150138 0.6441 BFGS: 7 16:11:34 -658.268459 0.6487 BFGS: 8 16:11:34 -658.366498 0.6394 BFGS: 9 16:11:35 -658.453050 0.6149 BFGS: 10 16:11:35 -658.523092 0.5843 BFGS: 11 16:11:35 -658.579798 0.5547 BFGS: 12 16:11:36 -658.628296 0.5306 BFGS: 13 16:11:36 -658.673234 0.5126 BFGS: 14 16:11:37 -658.716659 0.4991 BFGS: 15 16:11:37 -658.758915 0.4886 BFGS: 16 16:11:38 -658.799734 0.4799 BFGS: 17 16:11:38 -658.838745 0.4721 BFGS: 18 16:11:39 -658.875663 0.4648 BFGS: 19 16:11:39 -658.910321 0.4576 BFGS: 20 16:11:40 -658.942676 0.4504 BFGS: 21 16:11:40 -658.972781 0.4430 BFGS: 22 16:11:41 -659.000766 0.4353 BFGS: 23 16:11:42 -659.026817 0.4273 BFGS: 24 16:11:42 -659.051158 0.4191 BFGS: 25 16:11:43 -659.074040 0.4105 BFGS: 26 16:11:43 -659.095718 0.4016 BFGS: 27 16:11:44 -659.116445 0.3925 BFGS: 28 16:11:44 -659.136459 0.3832 BFGS: 29 16:11:45 -659.155971 0.3736 BFGS: 30 16:11:45 -659.175162 0.3638 BFGS: 31 16:11:46 -659.194179 0.3538 BFGS: 32 16:11:46 -659.213135 0.3437 BFGS: 33 16:11:47 -659.232111 0.3335 BFGS: 34 16:11:48 -659.251160 0.3231 BFGS: 35 16:11:48 -659.270312 0.3128 BFGS: 36 16:11:49 -659.289577 0.3023 BFGS: 37 16:11:49 -659.308948 0.2918 BFGS: 38 16:11:50 -659.328409 0.2813 BFGS: 39 16:11:50 -659.347932 0.2707 BFGS: 40 16:11:51 -659.367481 0.2602 BFGS: 41 16:11:51 -659.387013 0.2497 BFGS: 42 16:11:51 -659.406482 0.2391 BFGS: 43 16:11:52 -659.425838 0.2286 BFGS: 44 16:11:52 -659.445024 0.2181 BFGS: 45 16:11:52 -659.463983 0.2077 BFGS: 46 16:11:52 -659.482655 0.1973 BFGS: 47 16:11:52 -659.500975 0.1869 BFGS: 48 16:11:53 -659.518879 0.1766 BFGS: 49 16:11:53 -659.536298 0.1663 BFGS: 50 16:11:53 -659.553161 0.1560 BFGS: 51 16:11:54 -659.569396 0.1459 BFGS: 52 16:11:54 -659.584926 0.1357 BFGS: 53 16:11:54 -659.599675 0.1257 BFGS: 54 16:11:54 -659.613560 0.1157 BFGS: 55 16:11:55 -659.626496 0.1058 BFGS: 56 16:11:55 -659.638394 0.0960 BFGS: 57 16:11:55 -659.649160 0.0863 BFGS: 58 16:11:56 -659.658693 0.0767 BFGS: 59 16:11:56 -659.666885 0.0672 BFGS: 60 16:11:56 -659.673621 0.0707 BFGS: 61 16:11:57 -659.678792 0.0750 BFGS: 62 16:11:57 -659.682122 0.0776 BFGS: 63 16:11:57 -659.684168 0.0766 BFGS: 64 16:11:57 -659.688481 0.0697 BFGS: 65 16:11:58 -659.690552 0.0634 BFGS: 66 16:11:58 -659.691683 0.0649 BFGS: 67 16:11:58 -659.692625 0.0666 BFGS: 68 16:11:59 -659.694320 0.0649 BFGS: 69 16:11:59 -659.696388 0.0576 BFGS: 70 16:11:59 -659.697885 0.0598 BFGS: 71 16:11:59 -659.699006 0.0622 BFGS: 72 16:12:00 -659.699792 0.0631 BFGS: 73 16:12:00 -659.701395 0.0627 BFGS: 74 16:12:00 -659.704110 0.0601 BFGS: 75 16:12:01 -659.707883 0.0529 BFGS: 76 16:12:01 -659.711213 0.0450 BFGS: 77 16:12:01 -659.714343 0.0440 BFGS: 78 16:12:02 -659.717535 0.0401 BFGS: 79 16:12:02 -659.721311 0.0396 BFGS: 80 16:12:02 -659.724899 0.0352 BFGS: 81 16:12:02 -659.727844 0.0297 BFGS: 82 16:12:03 -659.730371 0.0272 BFGS: 83 16:12:03 -659.732508 0.0263 BFGS: 84 16:12:04 -659.734287 0.0248 BFGS: 85 16:12:04 -659.735774 0.0237 BFGS: 86 16:12:04 -659.737096 0.0230 BFGS: 87 16:12:05 -659.738470 0.0217 BFGS: 88 16:12:05 -659.739793 0.0175 BFGS: 89 16:12:06 -659.741077 0.0131 BFGS: 90 16:12:06 -659.741656 0.0140 BFGS: 91 16:12:06 -659.741871 0.0130 BFGS: 92 16:12:07 -659.742053 0.0106 BFGS: 93 16:12:07 -659.742304 0.0075 BFGS: 94 16:12:07 -659.742506 0.0068 BFGS: 95 16:12:07 -659.742597 0.0069 BFGS: 96 16:12:08 -659.742629 0.0071 BFGS: 97 16:12:08 -659.742654 0.0072 BFGS: 98 16:12:09 -659.742683 0.0073 BFGS: 99 16:12:09 -659.742705 0.0072 BFGS: 100 16:12:09 -659.742721 0.0070 BFGS: 101 16:12:10 -659.742733 0.0068 BFGS: 102 16:12:10 -659.742746 0.0068 BFGS: 103 16:12:10 -659.742760 0.0069 BFGS: 104 16:12:11 -659.742773 0.0069 BFGS: 105 16:12:11 -659.742788 0.0067 BFGS: 106 16:12:11 -659.742806 0.0065 BFGS: 107 16:12:12 -659.742826 0.0062 BFGS: 108 16:12:12 -659.742844 0.0061 BFGS: 109 16:12:12 -659.742858 0.0059 BFGS: 110 16:12:13 -659.742871 0.0057 BFGS: 111 16:12:13 -659.742887 0.0053 BFGS: 112 16:12:13 -659.742906 0.0050 BFGS: 113 16:12:14 -659.742927 0.0048 BFGS: 114 16:12:14 -659.742954 0.0048 BFGS: 115 16:12:14 -659.742988 0.0043 BFGS: 116 16:12:15 -659.743027 0.0043 BFGS: 117 16:12:15 -659.743063 0.0042 BFGS: 118 16:12:16 -659.743094 0.0045 BFGS: 119 16:12:16 -659.743121 0.0042 BFGS: 120 16:12:16 -659.743142 0.0031 BFGS: 121 16:12:17 -659.743156 0.0032 BFGS: 122 16:12:17 -659.743165 0.0024 BFGS: 123 16:12:17 -659.743174 0.0020 BFGS: 124 16:12:18 -659.743182 0.0020 BFGS: 125 16:12:18 -659.743188 0.0017 BFGS: 126 16:12:18 -659.743192 0.0015 BFGS: 127 16:12:19 -659.743195 0.0011 BFGS: 128 16:12:19 -659.743197 0.0016 BFGS: 129 16:12:19 -659.743200 0.0017 BFGS: 130 16:12:20 -659.743201 0.0013 BFGS: 131 16:12:20 -659.743203 0.0007 BFGS: 132 16:12:20 -659.743203 0.0005 BFGS: 133 16:12:21 -659.743204 0.0006 BFGS: 134 16:12:21 -659.743204 0.0005 BFGS: 135 16:12:21 -659.743204 0.0003 BFGS: 136 16:12:22 -659.743204 0.0002 BFGS: 137 16:12:22 -659.743204 0.0002 BFGS: 138 16:12:22 -659.743204 0.0001 BFGS: 139 16:12:23 -659.743204 0.0001 BFGS: 140 16:12:23 -659.743204 0.0001 BFGS: 141 16:12:23 -659.743205 0.0001 BFGS: 142 16:12:24 -659.743205 0.0001 BFGS: 143 16:12:24 -659.743205 0.0001 BFGS: 144 16:12:24 -659.743205 0.0001 BFGS: 145 16:12:24 -659.743205 0.0001 BFGS: 146 16:12:25 -659.743205 0.0001 BFGS: 147 16:12:25 -659.743205 0.0001 BFGS: 148 16:12:26 -659.743205 0.0001 BFGS: 149 16:12:26 -659.743205 0.0001 BFGS: 150 16:12:26 -659.743205 0.0001 BFGS: 151 16:12:27 -659.743205 0.0001 BFGS: 152 16:12:27 -659.743205 0.0001 BFGS: 153 16:12:27 -659.743205 0.0001 BFGS: 154 16:12:28 -659.743205 0.0001 BFGS: 155 16:12:28 -659.743205 0.0001 BFGS: 156 16:12:28 -659.743205 0.0001 BFGS: 157 16:12:29 -659.743205 0.0001 BFGS: 158 16:12:29 -659.743205 0.0001 BFGS: 159 16:12:30 -659.743205 0.0001 BFGS: 160 16:12:30 -659.743205 0.0000 BFGS: 161 16:12:30 -659.743205 0.0000 BFGS: 162 16:12:30 -659.743205 0.0000 BFGS: 163 16:12:31 -659.743205 0.0000 BFGS: 164 16:12:31 -659.743205 0.0000 BFGS: 165 16:12:31 -659.743205 0.0000 BFGS: 166 16:12:31 -659.743205 0.0000 BFGS: 167 16:12:32 -659.743205 0.0000 BFGS: 168 16:12:32 -659.743205 0.0000 BFGS: 169 16:12:32 -659.743205 0.0000 BFGS: 170 16:12:33 -659.743205 0.0000 BFGS: 171 16:12:33 -659.743205 0.0000 BFGS: 172 16:12:33 -659.743205 0.0000 BFGS: 173 16:12:33 -659.743205 0.0000 BFGS: 174 16:12:34 -659.743205 0.0000 BFGS: 175 16:12:34 -659.743205 0.0000 BFGS: 176 16:12:34 -659.743205 0.0000 BFGS: 177 16:12:34 -659.743205 0.0000 BFGS: 178 16:12:34 -659.743205 0.0000 BFGS: 179 16:12:35 -659.743205 0.0000 BFGS: 180 16:12:35 -659.743205 0.0000 BFGS: 181 16:12:35 -659.743205 0.0000 BFGS: 182 16:12:35 -659.743205 0.0000 BFGS: 183 16:12:36 -659.743205 0.0000 BFGS: 184 16:12:36 -659.743205 0.0000 BFGS: 185 16:12:36 -659.743205 0.0000 BFGS: 186 16:12:36 -659.743205 0.0000 BFGS: 187 16:12:36 -659.743205 0.0000 BFGS: 188 16:12:37 -659.743205 0.0000 BFGS: 189 16:12:37 -659.743205 0.0000 BFGS: 190 16:12:37 -659.743205 0.0000 BFGS: 191 16:12:38 -659.743205 0.0000 BFGS: 192 16:12:38 -659.743205 0.0000 BFGS: 193 16:12:38 -659.743205 0.0000 BFGS: 194 16:12:39 -659.743205 0.0000 BFGS: 195 16:12:39 -659.743205 0.0000 BFGS: 196 16:12:39 -659.743205 0.0000 BFGS: 197 16:12:39 -659.743205 0.0000 BFGS: 198 16:12:40 -659.743205 0.0000 BFGS: 199 16:12:40 -659.743205 0.0000 BFGS: 200 16:12:40 -659.743205 0.0000 BFGS: 201 16:12:40 -659.743205 0.0000 BFGS: 202 16:12:41 -659.743205 0.0000 BFGS: 203 16:12:41 -659.743205 0.0000 BFGS: 204 16:12:41 -659.743205 0.0000 BFGS: 205 16:12:42 -659.743205 0.0000 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