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 14:50:49 -480.313293 0.919167 BFGS: 1 14:50:49 -480.489532 0.617547 BFGS: 2 14:50:49 -480.634207 0.427747 BFGS: 3 14:50:49 -480.792095 0.459339 BFGS: 4 14:50:49 -480.857697 0.333880 BFGS: 5 14:50:49 -480.915628 0.355007 BFGS: 6 14:50:49 -481.004478 0.399892 BFGS: 7 14:50:50 -481.110585 0.491721 BFGS: 8 14:50:50 -481.212301 0.453809 BFGS: 9 14:50:50 -481.311579 0.405355 BFGS: 10 14:50:50 -481.392073 0.405195 BFGS: 11 14:50:50 -481.473264 0.357941 BFGS: 12 14:50:51 -481.546292 0.308219 BFGS: 13 14:50:51 -481.590322 0.266527 BFGS: 14 14:50:51 -481.625178 0.259428 BFGS: 15 14:50:51 -481.661983 0.269703 BFGS: 16 14:50:51 -481.705925 0.283127 BFGS: 17 14:50:51 -481.743732 0.253386 BFGS: 18 14:50:51 -481.768633 0.176868 BFGS: 19 14:50:51 -481.786740 0.173406 BFGS: 20 14:50:51 -481.806090 0.190816 BFGS: 21 14:50:51 -481.823734 0.151023 BFGS: 22 14:50:51 -481.835961 0.130962 BFGS: 23 14:50:52 -481.843788 0.097643 BFGS: 24 14:50:52 -481.850718 0.101759 BFGS: 25 14:50:52 -481.857436 0.108882 BFGS: 26 14:50:52 -481.863085 0.108404 BFGS: 27 14:50:52 -481.867282 0.078393 BFGS: 28 14:50:52 -481.870414 0.054461 BFGS: 29 14:50:53 -481.872772 0.062007 BFGS: 30 14:50:53 -481.874570 0.073283 BFGS: 31 14:50:53 -481.876196 0.062384 BFGS: 32 14:50:53 -481.877976 0.055836 BFGS: 33 14:50:53 -481.879849 0.051119 BFGS: 34 14:50:54 -481.881490 0.039904 BFGS: 35 14:50:54 -481.882829 0.049365 BFGS: 36 14:50:54 -481.884171 0.061575 BFGS: 37 14:50:54 -481.885829 0.055387 BFGS: 38 14:50:54 -481.887703 0.047986 BFGS: 39 14:50:54 -481.889365 0.046058 BFGS: 40 14:50:54 -481.890676 0.065197 BFGS: 41 14:50:55 -481.891867 0.071304 BFGS: 42 14:50:55 -481.893099 0.062096 BFGS: 43 14:50:55 -481.894232 0.054112 BFGS: 44 14:50:55 -481.895059 0.049173 BFGS: 45 14:50:55 -481.895661 0.047571 BFGS: 46 14:50:56 -481.896278 0.045659 BFGS: 47 14:50:56 -481.897052 0.053592 BFGS: 48 14:50:56 -481.897915 0.050486 BFGS: 49 14:50:56 -481.898690 0.039730 BFGS: 50 14:50:57 -481.899302 0.039181 BFGS: 51 14:50:57 -481.899837 0.038793 BFGS: 52 14:50:57 -481.900394 0.038626 BFGS: 53 14:50:57 -481.901024 0.037701 BFGS: 54 14:50:57 -481.901743 0.039336 BFGS: 55 14:50:57 -481.902563 0.042042 BFGS: 56 14:50:57 -481.903522 0.043432 BFGS: 57 14:50:57 -481.904706 0.043085 BFGS: 58 14:50:57 -481.906195 0.054831 BFGS: 59 14:50:57 -481.907947 0.054910 BFGS: 60 14:50:57 -481.909723 0.050514 BFGS: 61 14:50:57 -481.911280 0.047510 BFGS: 62 14:50:57 -481.912648 0.046490 BFGS: 63 14:50:58 -481.914029 0.043591 BFGS: 64 14:50:58 -481.915484 0.049444 BFGS: 65 14:50:58 -481.916938 0.052557 BFGS: 66 14:50:58 -481.918348 0.048165 BFGS: 67 14:50:58 -481.919791 0.046563 BFGS: 68 14:50:59 -481.921313 0.043892 BFGS: 69 14:50:59 -481.922766 0.040999 BFGS: 70 14:50:59 -481.923974 0.047544 BFGS: 71 14:50:59 -481.924970 0.037120 BFGS: 72 14:50:59 -481.925816 0.031249 BFGS: 73 14:50:59 -481.926438 0.025192 BFGS: 74 14:50:59 -481.926825 0.024133 BFGS: 75 14:51:00 -481.927122 0.024669 BFGS: 76 14:51:00 -481.927480 0.027615 BFGS: 77 14:51:00 -481.927910 0.030026 BFGS: 78 14:51:00 -481.928243 0.023064 BFGS: 79 14:51:00 -481.928395 0.015419 BFGS: 80 14:51:00 -481.928462 0.014477 BFGS: 81 14:51:01 -481.928519 0.012244 BFGS: 82 14:51:01 -481.928578 0.011621 BFGS: 83 14:51:01 -481.928626 0.007906 BFGS: 84 14:51:01 -481.928664 0.007668 BFGS: 85 14:51:01 -481.928704 0.010540 BFGS: 86 14:51:02 -481.928758 0.015062 BFGS: 87 14:51:02 -481.928831 0.016143 BFGS: 88 14:51:02 -481.928925 0.013977 BFGS: 89 14:51:02 -481.929040 0.016616 BFGS: 90 14:51:02 -481.929167 0.016198 BFGS: 91 14:51:03 -481.929294 0.020335 BFGS: 92 14:51:03 -481.929428 0.023860 BFGS: 93 14:51:03 -481.929601 0.021331 BFGS: 94 14:51:03 -481.929853 0.022080 BFGS: 95 14:51:03 -481.930192 0.029042 BFGS: 96 14:51:03 -481.930554 0.027228 BFGS: 97 14:51:04 -481.930871 0.021462 BFGS: 98 14:51:04 -481.931136 0.018070 BFGS: 99 14:51:04 -481.931376 0.017514 BFGS: 100 14:51:05 -481.931569 0.013917 BFGS: 101 14:51:05 -481.931679 0.009074 BFGS: 102 14:51:05 -481.931739 0.009411 BFGS: 103 14:51:05 -481.931786 0.008205 BFGS: 104 14:51:05 -481.931829 0.009128 BFGS: 105 14:51:06 -481.931862 0.008113 BFGS: 106 14:51:06 -481.931885 0.007818 BFGS: 107 14:51:06 -481.931908 0.007250 BFGS: 108 14:51:06 -481.931937 0.006940 BFGS: 109 14:51:06 -481.931964 0.006077 BFGS: 110 14:51:06 -481.931978 0.005703 BFGS: 111 14:51:06 -481.931986 0.005464 BFGS: 112 14:51:06 -481.931997 0.005259 BFGS: 113 14:51:06 -481.932010 0.004954 BFGS: 114 14:51:06 -481.932022 0.004631 BFGS: 115 14:51:06 -481.932031 0.004376 BFGS: 116 14:51:07 -481.932038 0.004168 BFGS: 117 14:51:07 -481.932046 0.003883 BFGS: 118 14:51:07 -481.932057 0.003644 BFGS: 119 14:51:07 -481.932066 0.003280 BFGS: 120 14:51:07 -481.932071 0.003966 BFGS: 121 14:51:07 -481.932076 0.004404 BFGS: 122 14:51:07 -481.932083 0.004127 BFGS: 123 14:51:07 -481.932093 0.004201 BFGS: 124 14:51:07 -481.932103 0.004826 BFGS: 125 14:51:07 -481.932110 0.004435 BFGS: 126 14:51:07 -481.932117 0.004156 BFGS: 127 14:51:07 -481.932123 0.003605 BFGS: 128 14:51:07 -481.932128 0.002223 BFGS: 129 14:51:07 -481.932130 0.002179 BFGS: 130 14:51:08 -481.932131 0.002086 BFGS: 131 14:51:08 -481.932131 0.001998 BFGS: 132 14:51:08 -481.932132 0.001867 BFGS: 133 14:51:08 -481.932133 0.001734 BFGS: 134 14:51:08 -481.932134 0.001668 BFGS: 135 14:51:08 -481.932135 0.001673 BFGS: 136 14:51:08 -481.932135 0.001697 BFGS: 137 14:51:08 -481.932135 0.001719 BFGS: 138 14:51:08 -481.932136 0.001714 BFGS: 139 14:51:08 -481.932137 0.001669 BFGS: 140 14:51:08 -481.932137 0.001601 BFGS: 141 14:51:08 -481.932138 0.001510 BFGS: 142 14:51:08 -481.932140 0.001556 BFGS: 143 14:51:08 -481.932143 0.002240 BFGS: 144 14:51:09 -481.932147 0.002388 BFGS: 145 14:51:09 -481.932152 0.002460 BFGS: 146 14:51:09 -481.932156 0.002710 BFGS: 147 14:51:09 -481.932159 0.002344 BFGS: 148 14:51:09 -481.932163 0.002072 BFGS: 149 14:51:09 -481.932166 0.002054 BFGS: 150 14:51:09 -481.932169 0.001297 BFGS: 151 14:51:09 -481.932170 0.001031 BFGS: 152 14:51:09 -481.932170 0.000953 BFGS: 153 14:51:09 -481.932171 0.000812 BFGS: 154 14:51:09 -481.932171 0.000769 BFGS: 155 14:51:10 -481.932172 0.000554 BFGS: 156 14:51:10 -481.932172 0.000280 BFGS: 157 14:51:10 -481.932172 0.000258 BFGS: 158 14:51:10 -481.932172 0.000215 BFGS: 159 14:51:10 -481.932172 0.000170 BFGS: 160 14:51:10 -481.932172 0.000177 BFGS: 161 14:51:10 -481.932172 0.000192 BFGS: 162 14:51:10 -481.932172 0.000191 BFGS: 163 14:51:10 -481.932172 0.000208 BFGS: 164 14:51:10 -481.932172 0.000174 BFGS: 165 14:51:10 -481.932172 0.000092 BFGS: 166 14:51:10 -481.932172 0.000073 BFGS: 167 14:51:10 -481.932172 0.000073 BFGS: 168 14:51:10 -481.932172 0.000073 BFGS: 169 14:51:10 -481.932172 0.000072 BFGS: 170 14:51:10 -481.932172 0.000072 BFGS: 171 14:51:10 -481.932172 0.000071 BFGS: 172 14:51:11 -481.932172 0.000070 BFGS: 173 14:51:11 -481.932172 0.000069 BFGS: 174 14:51:11 -481.932172 0.000076 BFGS: 175 14:51:11 -481.932172 0.000119 BFGS: 176 14:51:11 -481.932172 0.000157 BFGS: 177 14:51:11 -481.932172 0.000147 BFGS: 178 14:51:11 -481.932173 0.000075 BFGS: 179 14:51:11 -481.932173 0.000017 BFGS: 180 14:51:11 -481.932173 0.000002 BFGS: 181 14:51:11 -481.932173 0.000000 BFGS: 182 14:51:11 -481.932173 0.000000 BFGS: 183 14:51:11 -481.932173 0.000000 BFGS: 184 14:51:11 -481.932173 0.000000 BFGS: 185 14:51:11 -481.932173 0.000000 Minimization converged after 185 steps. Maximum force component: 4.2519776831395645e-09 eV/Angstrom Maximum stress component: 1.371856180293313e-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 0.00000000e+00 7.00660407e-01] [2.47000961e-01 5.00000000e-01 7.00660407e-01] [2.32642742e-01 1.24707266e-35 3.03603063e-01] [7.32642742e-01 5.00000000e-01 3.03603063e-01] [8.59998311e-01 0.00000000e+00 2.78391641e-01] [3.59998311e-01 5.00000000e-01 2.78391641e-01] [1.25203072e-01 7.48243597e-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([[10.381133535087054, -3.133565425694966e-19, 0.02687355024519252], [-4.4137537216713135e-19, 15.44360648303581, 5.448774400333089e-18], [2.4027356664490513, 3.0124634511301556e-18, 8.721629371533853]]) forces = [[-5.32292946e-10 2.18608205e-28 5.70820363e-10] [-5.32292946e-10 2.18608205e-28 5.70820363e-10] [-1.13667490e-09 1.65750273e-28 3.68387404e-10] [-1.13667490e-09 1.65750273e-28 3.68387404e-10] [ 8.45225917e-10 2.16401392e-28 6.85621469e-10] [ 8.45225917e-10 2.16401392e-28 6.85621469e-10] [ 7.63796387e-11 3.14827715e-29 9.56530966e-11] [ 7.63796387e-11 3.14827715e-29 9.56530966e-11] [-6.85407646e-10 -2.53778769e-11 9.40967894e-11] [-6.85407646e-10 2.53778769e-11 9.40967894e-11] [-6.85407646e-10 -2.53778769e-11 9.40967894e-11] [-6.85407646e-10 2.53778769e-11 9.40967894e-11] [ 5.10337037e-10 -2.86303259e-10 3.51046545e-09] [ 5.10337037e-10 2.86303259e-10 3.51046545e-09] [ 5.10337037e-10 -2.86303259e-10 3.51046545e-09] [ 5.10337037e-10 2.86303259e-10 3.51046545e-09] [-1.22245736e-09 -7.09053094e-10 6.30383884e-10] [-1.22245736e-09 7.09053094e-10 6.30383884e-10] [-1.22245736e-09 -7.09053094e-10 6.30383884e-10] [-1.22245736e-09 7.09053094e-10 6.30383884e-10] [ 1.03661690e-10 8.13442168e-10 -5.57617778e-10] [ 1.03661690e-10 -8.13442168e-10 -5.57617778e-10] [ 1.03661690e-10 8.13442168e-10 -5.57617778e-10] [ 1.03661690e-10 -8.13442168e-10 -5.57617778e-10] [ 4.26767163e-11 -2.58428881e-09 -1.70590879e-09] [ 4.26767163e-11 2.58428881e-09 -1.70590879e-09] [ 4.26767163e-11 -2.58428881e-09 -1.70590879e-09] [ 4.26767163e-11 2.58428881e-09 -1.70590879e-09] [ 5.63914027e-10 7.82536130e-10 -5.30818075e-10] [ 5.63914027e-10 -7.82536130e-10 -5.30818075e-10] [ 5.63914027e-10 7.82536130e-10 -5.30818075e-10] [ 5.63914027e-10 -7.82536130e-10 -5.30818075e-10] [ 1.30514081e-09 -3.89449712e-10 -1.85262734e-09] [ 1.30514081e-09 3.89449712e-10 -1.85262734e-09] [ 1.30514081e-09 -3.89449712e-10 -1.85262734e-09] [ 1.30514081e-09 3.89449712e-10 -1.85262734e-09] [-2.55787349e-09 2.96408856e-10 -2.33572520e-09] [-2.55787349e-09 -2.96408856e-10 -2.33572520e-09] [-2.55787349e-09 2.96408856e-10 -2.33572520e-09] [-2.55787349e-09 -2.96408856e-10 -2.33572520e-09] [-1.21017849e-11 -3.14681375e-10 4.25197768e-09] [-1.21017849e-11 3.14681375e-10 4.25197768e-09] [-1.21017849e-11 -3.14681375e-10 4.25197768e-09] [-1.21017849e-11 3.14681375e-10 4.25197768e-09] [-1.13366788e-10 -7.82321551e-10 -2.92179770e-10] [-1.13366788e-10 7.82321551e-10 -2.92179770e-10] [-1.13366788e-10 -7.82321551e-10 -2.92179770e-10] [-1.13366788e-10 7.82321551e-10 -2.92179770e-10] [ 1.47098623e-09 -1.09962113e-09 3.71743320e-09] [ 1.47098623e-09 1.09962113e-09 3.71743320e-09] [ 1.47098623e-09 -1.09962113e-09 3.71743320e-09] [ 1.47098623e-09 1.09962113e-09 3.71743320e-09] [-1.40365523e-10 -4.37727014e-10 -2.39549105e-09] [-1.40365523e-10 4.37727014e-10 -2.39549105e-09] [-1.40365523e-10 -4.37727014e-10 -2.39549105e-09] [-1.40365523e-10 4.37727014e-10 -2.39549105e-09] [ 9.45099193e-10 1.26557162e-10 -2.63860376e-09] [ 9.45099193e-10 -1.26557162e-10 -2.63860376e-09] [ 9.45099193e-10 1.26557162e-10 -2.63860376e-09] [ 9.45099193e-10 -1.26557162e-10 -2.63860376e-09] [-5.77340814e-11 2.48509647e-10 3.12719212e-09] [-5.77340814e-11 -2.48509647e-10 3.12719212e-09] [-5.77340814e-11 2.48509647e-10 3.12719212e-09] [-5.77340814e-11 -2.48509647e-10 3.12719212e-09] [-8.17632420e-10 2.20840114e-09 -1.78317807e-09] [-8.17632420e-10 -2.20840114e-09 -1.78317807e-09] [-8.17632420e-10 2.20840114e-09 -1.78317807e-09] [-8.17632420e-10 -2.20840114e-09 -1.78317807e-09] [ 1.03880363e-09 -4.67996832e-10 -2.09963721e-09] [ 1.03880363e-09 4.67996832e-10 -2.09963721e-09] [ 1.03880363e-09 -4.67996832e-10 -2.09963721e-09] [ 1.03880363e-09 4.67996832e-10 -2.09963721e-09]] stress = [ 4.49673501e-12 -1.71620694e-12 2.23086397e-12 -4.00720652e-31 -1.37185618e-11 1.96667627e-31] energy per atom = -6.693502395932436 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0