element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC72_8_4a10b_6b Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.4908', '1.4535879', '0.85881916', '74.5131', '0.24616373', '0.28247793', '0.76543584', '0.69548932', '0.12025346', '0.74263471', '0.87659597', '0.28371303', '0.56039698', '0.62039546', '0.28702385', '0.18159256', '0.11548908', '0.51253531', '0.44394395', '0.62094608', '0.71536991', '0.65735817', '0.66553901', '0.8008207', '0.3120094', '0.16693981', '0.23371115', '0.68927164', '0.16138536', '0.77730289', '0.49671207', '0.77487926', '0.99715436', '0.74402029', '0.24996152', '0.0074115074', '0.82343831', '0.12956118', '0.48985132', '0.34851968', '0.66080169', '0.19405024', '0.35060109', '0.75463974', '0.10727636', '0.80605312', '0.102853', '0.66941363', '0.40261412', '0.60267515', '0.314305', '0.64676481', '0.7570245', '0.89628234', '0.19956881', '0.10065051', '0.32910572', '0.1007455', '0.10064773', '0.69174323'] model name: Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.75383627 0. 0.71752207] [0.23456416 0. 0.30451068] [0.87974654 0. 0.25736529] [0.12340403 0. 0.71628697] [0.43960302 0.62039546 0.71297615] [0.81840744 0.11548908 0.48746469] [0.55605605 0.62094608 0.28463009] [0.34264183 0.66553901 0.1991793 ] [0.6879906 0.16693981 0.76628885] [0.31072836 0.16138536 0.22269711] [0.50328793 0.77487926 0.00284564] [0.25597971 0.24996152 0.99258849] [0.17656169 0.12956118 0.51014868] [0.65148032 0.66080169 0.80594976] [0.64939891 0.75463974 0.89272364] [0.19394688 0.102853 0.33058637] [0.59738588 0.60267515 0.685695 ] [0.35323519 0.7570245 0.10371766] [0.80043119 0.10065051 0.67089428] [0.8992545 0.10064773 0.30825677]] spacegroup = 8 cell = [[10.4908, 0, 0], [0, 15.2493, 0], [2.405752492906, 0, 8.6825715679674]] ========================================= Step Time Energy fmax BFGS: 0 15:35:31 -480.313293 0.9192 BFGS: 1 15:35:31 -480.489532 0.6175 BFGS: 2 15:35:31 -480.634207 0.4277 BFGS: 3 15:35:31 -480.792095 0.4593 BFGS: 4 15:35:31 -480.857697 0.3339 BFGS: 5 15:35:31 -480.915628 0.3550 BFGS: 6 15:35:32 -481.004478 0.3999 BFGS: 7 15:35:32 -481.110585 0.4917 BFGS: 8 15:35:32 -481.212301 0.4538 BFGS: 9 15:35:32 -481.311579 0.4054 BFGS: 10 15:35:32 -481.392073 0.4052 BFGS: 11 15:35:32 -481.473264 0.3579 BFGS: 12 15:35:32 -481.546292 0.3082 BFGS: 13 15:35:32 -481.590322 0.2665 BFGS: 14 15:35:32 -481.625178 0.2594 BFGS: 15 15:35:32 -481.661983 0.2697 BFGS: 16 15:35:32 -481.705925 0.2831 BFGS: 17 15:35:32 -481.743732 0.2534 BFGS: 18 15:35:32 -481.768633 0.1769 BFGS: 19 15:35:32 -481.786740 0.1734 BFGS: 20 15:35:32 -481.806090 0.1908 BFGS: 21 15:35:32 -481.823734 0.1510 BFGS: 22 15:35:32 -481.835961 0.1310 BFGS: 23 15:35:32 -481.843788 0.0976 BFGS: 24 15:35:32 -481.850718 0.1018 BFGS: 25 15:35:33 -481.857436 0.1089 BFGS: 26 15:35:33 -481.863085 0.1084 BFGS: 27 15:35:33 -481.867282 0.0784 BFGS: 28 15:35:33 -481.870414 0.0545 BFGS: 29 15:35:33 -481.872772 0.0620 BFGS: 30 15:35:33 -481.874570 0.0733 BFGS: 31 15:35:33 -481.876196 0.0624 BFGS: 32 15:35:33 -481.877976 0.0558 BFGS: 33 15:35:33 -481.879849 0.0511 BFGS: 34 15:35:33 -481.881490 0.0399 BFGS: 35 15:35:33 -481.882829 0.0494 BFGS: 36 15:35:33 -481.884171 0.0616 BFGS: 37 15:35:33 -481.885829 0.0554 BFGS: 38 15:35:33 -481.887703 0.0480 BFGS: 39 15:35:33 -481.889365 0.0461 BFGS: 40 15:35:33 -481.890676 0.0652 BFGS: 41 15:35:33 -481.891867 0.0713 BFGS: 42 15:35:33 -481.893099 0.0621 BFGS: 43 15:35:33 -481.894232 0.0541 BFGS: 44 15:35:33 -481.895059 0.0492 BFGS: 45 15:35:33 -481.895661 0.0476 BFGS: 46 15:35:34 -481.896278 0.0457 BFGS: 47 15:35:34 -481.897052 0.0536 BFGS: 48 15:35:34 -481.897915 0.0505 BFGS: 49 15:35:34 -481.898690 0.0397 BFGS: 50 15:35:34 -481.899302 0.0392 BFGS: 51 15:35:34 -481.899837 0.0388 BFGS: 52 15:35:34 -481.900394 0.0386 BFGS: 53 15:35:34 -481.901024 0.0377 BFGS: 54 15:35:34 -481.901743 0.0393 BFGS: 55 15:35:34 -481.902563 0.0420 BFGS: 56 15:35:34 -481.903522 0.0434 BFGS: 57 15:35:34 -481.904706 0.0431 BFGS: 58 15:35:34 -481.906195 0.0548 BFGS: 59 15:35:34 -481.907947 0.0549 BFGS: 60 15:35:34 -481.909723 0.0505 BFGS: 61 15:35:34 -481.911280 0.0475 BFGS: 62 15:35:34 -481.912648 0.0465 BFGS: 63 15:35:34 -481.914029 0.0436 BFGS: 64 15:35:34 -481.915484 0.0494 BFGS: 65 15:35:34 -481.916938 0.0526 BFGS: 66 15:35:34 -481.918348 0.0482 BFGS: 67 15:35:34 -481.919791 0.0466 BFGS: 68 15:35:34 -481.921313 0.0439 BFGS: 69 15:35:34 -481.922766 0.0410 BFGS: 70 15:35:35 -481.923974 0.0475 BFGS: 71 15:35:35 -481.924970 0.0371 BFGS: 72 15:35:35 -481.925816 0.0312 BFGS: 73 15:35:35 -481.926438 0.0252 BFGS: 74 15:35:35 -481.926825 0.0241 BFGS: 75 15:35:35 -481.927122 0.0247 BFGS: 76 15:35:35 -481.927480 0.0276 BFGS: 77 15:35:35 -481.927910 0.0300 BFGS: 78 15:35:35 -481.928243 0.0231 BFGS: 79 15:35:35 -481.928395 0.0154 BFGS: 80 15:35:35 -481.928462 0.0145 BFGS: 81 15:35:36 -481.928519 0.0122 BFGS: 82 15:35:36 -481.928578 0.0116 BFGS: 83 15:35:36 -481.928626 0.0079 BFGS: 84 15:35:36 -481.928664 0.0077 BFGS: 85 15:35:36 -481.928704 0.0105 BFGS: 86 15:35:36 -481.928758 0.0151 BFGS: 87 15:35:36 -481.928831 0.0161 BFGS: 88 15:35:36 -481.928925 0.0140 BFGS: 89 15:35:36 -481.929040 0.0166 BFGS: 90 15:35:36 -481.929167 0.0162 BFGS: 91 15:35:36 -481.929294 0.0203 BFGS: 92 15:35:36 -481.929428 0.0239 BFGS: 93 15:35:36 -481.929601 0.0213 BFGS: 94 15:35:36 -481.929853 0.0221 BFGS: 95 15:35:36 -481.930192 0.0290 BFGS: 96 15:35:36 -481.930554 0.0272 BFGS: 97 15:35:37 -481.930871 0.0215 BFGS: 98 15:35:37 -481.931136 0.0181 BFGS: 99 15:35:37 -481.931376 0.0175 BFGS: 100 15:35:37 -481.931569 0.0139 BFGS: 101 15:35:37 -481.931679 0.0091 BFGS: 102 15:35:37 -481.931739 0.0094 BFGS: 103 15:35:37 -481.931786 0.0082 BFGS: 104 15:35:37 -481.931829 0.0091 BFGS: 105 15:35:37 -481.931862 0.0081 BFGS: 106 15:35:37 -481.931885 0.0078 BFGS: 107 15:35:38 -481.931908 0.0072 BFGS: 108 15:35:38 -481.931937 0.0069 BFGS: 109 15:35:38 -481.931964 0.0061 BFGS: 110 15:35:38 -481.931978 0.0057 BFGS: 111 15:35:38 -481.931986 0.0055 BFGS: 112 15:35:38 -481.931997 0.0053 BFGS: 113 15:35:38 -481.932010 0.0050 BFGS: 114 15:35:38 -481.932022 0.0046 BFGS: 115 15:35:38 -481.932031 0.0044 BFGS: 116 15:35:38 -481.932038 0.0042 BFGS: 117 15:35:38 -481.932046 0.0039 BFGS: 118 15:35:38 -481.932057 0.0036 BFGS: 119 15:35:38 -481.932066 0.0033 BFGS: 120 15:35:38 -481.932071 0.0040 BFGS: 121 15:35:38 -481.932076 0.0044 BFGS: 122 15:35:38 -481.932083 0.0041 BFGS: 123 15:35:39 -481.932093 0.0042 BFGS: 124 15:35:39 -481.932103 0.0048 BFGS: 125 15:35:39 -481.932110 0.0044 BFGS: 126 15:35:39 -481.932117 0.0042 BFGS: 127 15:35:39 -481.932123 0.0036 BFGS: 128 15:35:40 -481.932128 0.0022 BFGS: 129 15:35:40 -481.932130 0.0022 BFGS: 130 15:35:40 -481.932131 0.0021 BFGS: 131 15:35:40 -481.932131 0.0020 BFGS: 132 15:35:40 -481.932132 0.0019 BFGS: 133 15:35:40 -481.932133 0.0017 BFGS: 134 15:35:40 -481.932134 0.0017 BFGS: 135 15:35:40 -481.932135 0.0017 BFGS: 136 15:35:40 -481.932135 0.0017 BFGS: 137 15:35:40 -481.932135 0.0017 BFGS: 138 15:35:40 -481.932136 0.0017 BFGS: 139 15:35:40 -481.932137 0.0017 BFGS: 140 15:35:41 -481.932137 0.0016 BFGS: 141 15:35:41 -481.932138 0.0015 BFGS: 142 15:35:41 -481.932140 0.0016 BFGS: 143 15:35:41 -481.932143 0.0022 BFGS: 144 15:35:41 -481.932147 0.0024 BFGS: 145 15:35:41 -481.932152 0.0025 BFGS: 146 15:35:41 -481.932156 0.0027 BFGS: 147 15:35:41 -481.932159 0.0023 BFGS: 148 15:35:41 -481.932163 0.0021 BFGS: 149 15:35:41 -481.932166 0.0021 BFGS: 150 15:35:41 -481.932169 0.0013 BFGS: 151 15:35:41 -481.932170 0.0010 BFGS: 152 15:35:41 -481.932170 0.0010 BFGS: 153 15:35:42 -481.932171 0.0008 BFGS: 154 15:35:42 -481.932171 0.0008 BFGS: 155 15:35:42 -481.932172 0.0006 BFGS: 156 15:35:42 -481.932172 0.0003 BFGS: 157 15:35:42 -481.932172 0.0003 BFGS: 158 15:35:42 -481.932172 0.0002 BFGS: 159 15:35:42 -481.932172 0.0002 BFGS: 160 15:35:42 -481.932172 0.0002 BFGS: 161 15:35:42 -481.932172 0.0002 BFGS: 162 15:35:42 -481.932172 0.0002 BFGS: 163 15:35:42 -481.932172 0.0002 BFGS: 164 15:35:43 -481.932172 0.0002 BFGS: 165 15:35:43 -481.932172 0.0001 BFGS: 166 15:35:43 -481.932172 0.0001 BFGS: 167 15:35:43 -481.932172 0.0001 BFGS: 168 15:35:43 -481.932172 0.0001 BFGS: 169 15:35:43 -481.932172 0.0001 BFGS: 170 15:35:43 -481.932172 0.0001 BFGS: 171 15:35:43 -481.932172 0.0001 BFGS: 172 15:35:43 -481.932172 0.0001 BFGS: 173 15:35:43 -481.932172 0.0001 BFGS: 174 15:35:43 -481.932172 0.0001 BFGS: 175 15:35:44 -481.932172 0.0001 BFGS: 176 15:35:44 -481.932172 0.0002 BFGS: 177 15:35:44 -481.932172 0.0001 BFGS: 178 15:35:44 -481.932173 0.0001 BFGS: 179 15:35:44 -481.932173 0.0000 BFGS: 180 15:35:44 -481.932173 0.0000 BFGS: 181 15:35:44 -481.932173 0.0000 BFGS: 182 15:35:44 -481.932173 0.0000 BFGS: 183 15:35:44 -481.932173 0.0000 BFGS: 184 15:35:44 -481.932173 0.0000 BFGS: 185 15:35:44 -481.932173 0.0000 Minimization converged after 185 steps. Maximum force component: 4.252020084985486e-09 eV/Angstrom Maximum stress component: 1.3718626639362583e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', '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 = [[7.47000961e-01 1.18471903e-34 7.00660407e-01] [2.47000961e-01 5.00000000e-01 7.00660407e-01] [2.32642742e-01 2.49414532e-35 3.03603063e-01] [7.32642742e-01 5.00000000e-01 3.03603063e-01] [8.59998311e-01 2.18237716e-35 2.78391641e-01] [3.59998311e-01 5.00000000e-01 2.78391641e-01] [1.25203072e-01 6.23536331e-35 7.09316379e-01] [6.25203072e-01 5.00000000e-01 7.09316379e-01] [4.31684095e-01 6.15999976e-01 7.22358278e-01] [4.31684095e-01 3.84000024e-01 7.22358278e-01] [9.31684095e-01 1.15999976e-01 7.22358278e-01] [9.31684095e-01 8.84000024e-01 7.22358278e-01] [8.16950166e-01 1.25258611e-01 4.90289234e-01] [8.16950166e-01 8.74741389e-01 4.90289234e-01] [3.16950166e-01 6.25258611e-01 4.90289234e-01] [3.16950166e-01 3.74741389e-01 4.90289234e-01] [5.51005097e-01 6.16669775e-01 2.74200018e-01] [5.51005097e-01 3.83330225e-01 2.74200018e-01] [5.10050965e-02 1.16669775e-01 2.74200018e-01] [5.10050965e-02 8.83330225e-01 2.74200018e-01] [3.33635109e-01 6.67067236e-01 2.00385311e-01] [3.33635109e-01 3.32932764e-01 2.00385311e-01] [8.33635109e-01 1.67067236e-01 2.00385311e-01] [8.33635109e-01 8.32932764e-01 2.00385311e-01] [6.82752357e-01 1.67626914e-01 7.76422603e-01] [6.82752357e-01 8.32373086e-01 7.76422603e-01] [1.82752357e-01 6.67626914e-01 7.76422603e-01] [1.82752357e-01 3.32373086e-01 7.76422603e-01] [3.10689893e-01 1.60254548e-01 2.17834951e-01] [3.10689893e-01 8.39745452e-01 2.17834951e-01] [8.10689893e-01 6.60254548e-01 2.17834951e-01] [8.10689893e-01 3.39745452e-01 2.17834951e-01] [5.25518313e-01 7.65989285e-01 3.52759653e-02] [5.25518313e-01 2.34010715e-01 3.52759653e-02] [2.55183131e-02 2.65989285e-01 3.52759653e-02] [2.55183131e-02 7.34010715e-01 3.52759653e-02] [2.93252205e-01 2.43613423e-01 9.60372054e-01] [2.93252205e-01 7.56386577e-01 9.60372054e-01] [7.93252205e-01 7.43613423e-01 9.60372054e-01] [7.93252205e-01 2.56386577e-01 9.60372054e-01] [1.63622112e-01 1.28714205e-01 5.06298065e-01] [1.63622112e-01 8.71285795e-01 5.06298065e-01] [6.63622112e-01 6.28714205e-01 5.06298065e-01] [6.63622112e-01 3.71285795e-01 5.06298065e-01] [6.52487035e-01 6.59554846e-01 8.04044582e-01] [6.52487035e-01 3.40445154e-01 8.04044582e-01] [1.52487035e-01 1.59554846e-01 8.04044582e-01] [1.52487035e-01 8.40445154e-01 8.04044582e-01] [6.60548531e-01 7.50306244e-01 8.95035450e-01] [6.60548531e-01 2.49693756e-01 8.95035450e-01] [1.60548531e-01 2.50306244e-01 8.95035450e-01] [1.60548531e-01 7.49693756e-01 8.95035450e-01] [1.89131833e-01 1.02157756e-01 3.25413537e-01] [1.89131833e-01 8.97842244e-01 3.25413537e-01] [6.89131833e-01 6.02157756e-01 3.25413537e-01] [6.89131833e-01 3.97842244e-01 3.25413537e-01] [5.93327668e-01 6.02026786e-01 6.84902734e-01] [5.93327668e-01 3.97973214e-01 6.84902734e-01] [9.33276677e-02 1.02026786e-01 6.84902734e-01] [9.33276677e-02 8.97973214e-01 6.84902734e-01] [3.62706358e-01 7.57436631e-01 1.02872442e-01] [3.62706358e-01 2.42563369e-01 1.02872442e-01] [8.62706358e-01 2.57436631e-01 1.02872442e-01] [8.62706358e-01 7.42563369e-01 1.02872442e-01] [7.93147113e-01 1.01347398e-01 6.71815314e-01] [7.93147113e-01 8.98652602e-01 6.71815314e-01] [2.93147113e-01 6.01347398e-01 6.71815314e-01] [2.93147113e-01 3.98652602e-01 6.71815314e-01] [8.89284574e-01 1.01361041e-01 3.10978702e-01] [8.89284574e-01 8.98638959e-01 3.10978702e-01] [3.89284574e-01 6.01361041e-01 3.10978702e-01] [3.89284574e-01 3.98638959e-01 3.10978702e-01]] cellpar = Cell([[10.381133535087056, 2.4132400169375537e-21, 0.026873550245356412], [6.874811686602513e-21, 15.443606483035794, -2.1075747331107483e-18], [2.402735666448907, -1.1886675714405634e-18, 8.721629371533888]]) forces = [[-5.32341435e-10 -7.82049571e-29 5.70850943e-10] [-5.32341435e-10 -7.82049571e-29 5.70850943e-10] [-1.13668851e-09 -5.09307936e-29 3.68374373e-10] [-1.13668851e-09 -5.09307936e-29 3.68374373e-10] [ 8.45185227e-10 -9.30551551e-29 6.85595497e-10] [ 8.45185227e-10 -9.30551551e-29 6.85595497e-10] [ 7.64019403e-11 -1.30098216e-29 9.56722340e-11] [ 7.64019403e-11 -1.30098216e-29 9.56722340e-11] [-6.85448790e-10 -2.53765724e-11 9.40755911e-11] [-6.85448790e-10 2.53765724e-11 9.40755911e-11] [-6.85448790e-10 -2.53765724e-11 9.40755911e-11] [-6.85448790e-10 2.53765724e-11 9.40755911e-11] [ 5.10331513e-10 -2.86275788e-10 3.51051649e-09] [ 5.10331513e-10 2.86275788e-10 3.51051649e-09] [ 5.10331513e-10 -2.86275788e-10 3.51051649e-09] [ 5.10331513e-10 2.86275788e-10 3.51051649e-09] [-1.22244491e-09 -7.09042051e-10 6.30378819e-10] [-1.22244491e-09 7.09042051e-10 6.30378819e-10] [-1.22244491e-09 -7.09042051e-10 6.30378819e-10] [-1.22244491e-09 7.09042051e-10 6.30378819e-10] [ 1.03710290e-10 8.13433178e-10 -5.57601507e-10] [ 1.03710290e-10 -8.13433178e-10 -5.57601507e-10] [ 1.03710290e-10 8.13433178e-10 -5.57601507e-10] [ 1.03710290e-10 -8.13433178e-10 -5.57601507e-10] [ 4.26376573e-11 -2.58416202e-09 -1.70580940e-09] [ 4.26376573e-11 2.58416202e-09 -1.70580940e-09] [ 4.26376573e-11 -2.58416202e-09 -1.70580940e-09] [ 4.26376573e-11 2.58416202e-09 -1.70580940e-09] [ 5.63939249e-10 7.82601640e-10 -5.30855715e-10] [ 5.63939249e-10 -7.82601640e-10 -5.30855715e-10] [ 5.63939249e-10 7.82601640e-10 -5.30855715e-10] [ 5.63939249e-10 -7.82601640e-10 -5.30855715e-10] [ 1.30521346e-09 -3.89458779e-10 -1.85261437e-09] [ 1.30521346e-09 3.89458779e-10 -1.85261437e-09] [ 1.30521346e-09 -3.89458779e-10 -1.85261437e-09] [ 1.30521346e-09 3.89458779e-10 -1.85261437e-09] [-2.55812044e-09 2.96414410e-10 -2.33592697e-09] [-2.55812044e-09 -2.96414410e-10 -2.33592697e-09] [-2.55812044e-09 2.96414410e-10 -2.33592697e-09] [-2.55812044e-09 -2.96414410e-10 -2.33592697e-09] [-1.21042620e-11 -3.14676566e-10 4.25202008e-09] [-1.21042620e-11 3.14676566e-10 4.25202008e-09] [-1.21042620e-11 -3.14676566e-10 4.25202008e-09] [-1.21042620e-11 3.14676566e-10 4.25202008e-09] [-1.13397604e-10 -7.82322804e-10 -2.92199438e-10] [-1.13397604e-10 7.82322804e-10 -2.92199438e-10] [-1.13397604e-10 -7.82322804e-10 -2.92199438e-10] [-1.13397604e-10 7.82322804e-10 -2.92199438e-10] [ 1.47112372e-09 -1.09954983e-09 3.71741768e-09] [ 1.47112372e-09 1.09954983e-09 3.71741768e-09] [ 1.47112372e-09 -1.09954983e-09 3.71741768e-09] [ 1.47112372e-09 1.09954983e-09 3.71741768e-09] [-1.40389370e-10 -4.37776072e-10 -2.39547666e-09] [-1.40389370e-10 4.37776072e-10 -2.39547666e-09] [-1.40389370e-10 -4.37776072e-10 -2.39547666e-09] [-1.40389370e-10 4.37776072e-10 -2.39547666e-09] [ 9.45094489e-10 1.26639531e-10 -2.63862591e-09] [ 9.45094489e-10 -1.26639531e-10 -2.63862591e-09] [ 9.45094489e-10 1.26639531e-10 -2.63862591e-09] [ 9.45094489e-10 -1.26639531e-10 -2.63862591e-09] [-5.77720788e-11 2.48599469e-10 3.12733715e-09] [-5.77720788e-11 -2.48599469e-10 3.12733715e-09] [-5.77720788e-11 2.48599469e-10 3.12733715e-09] [-5.77720788e-11 -2.48599469e-10 3.12733715e-09] [-8.17491956e-10 2.20832266e-09 -1.78324957e-09] [-8.17491956e-10 -2.20832266e-09 -1.78324957e-09] [-8.17491956e-10 2.20832266e-09 -1.78324957e-09] [-8.17491956e-10 -2.20832266e-09 -1.78324957e-09] [ 1.03884147e-09 -4.67964697e-10 -2.09963290e-09] [ 1.03884147e-09 4.67964697e-10 -2.09963290e-09] [ 1.03884147e-09 -4.67964697e-10 -2.09963290e-09] [ 1.03884147e-09 4.67964697e-10 -2.09963290e-09]] stress = [ 4.49742406e-12 -1.71655337e-12 2.23078631e-12 6.24165709e-33 -1.37186266e-11 -3.06390878e-33] energy per atom = -6.693502395932456 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0