element(s): ['Li', 'Si'] AFLOW prototype label: A7B3_hP60_153_2a6c_3c Parameter names: ['a', 'c/a', 'x1', 'x2', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.5848', '2.3700295', '0.77786139', '0.10982688', '0.44448016', '0.88666115', '0.46815691', '0.44350373', '0.86686631', '0.62200473', '0.4445024', '0.21928227', '0.15024028', '0.44486045', '0.19830003', '0.29313529', '0.11166159', '0.88595371', '0.81718562', '0.11227682', '0.86453177', '0.96018553', '0.4493283', '0.90661889', '0.76744362', '0.44374166', '0.23094428', '0.4346806', '0.10642953', '0.90191251', '0.10121132'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.22213861 0.77786139 0.66666667] [0.89017312 0.10982688 0.66666667] [0.55781901 0.44448016 0.80149024] [0.57663742 0.44350373 0.95533806] [0.22522013 0.4445024 0.48357361] [0.24656042 0.44486045 0.62646862] [0.22570788 0.11166159 0.15051895] [0.24774505 0.11227682 0.29351886] [0.54270941 0.4493283 0.10077695] [0.21279738 0.44374166 0.76801393] [0.20451702 0.10642953 0.43454465]] spacegroup = 153 cell = [[7.5848, 0, 0], [-3.7924, 6.5686294826242, 0], [0, 0, 17.9762]] ========================================= Step Time Energy fmax BFGS: 0 20:41:06 -155.395792 2.146826 BFGS: 1 20:41:06 -156.556023 1.188740 BFGS: 2 20:41:06 -157.865155 1.092239 BFGS: 3 20:41:06 -158.595583 0.871921 BFGS: 4 20:41:06 -159.055497 0.704923 BFGS: 5 20:41:06 -159.355128 0.688378 BFGS: 6 20:41:07 -159.535895 0.497636 BFGS: 7 20:41:07 -159.659409 0.274340 BFGS: 8 20:41:07 -159.683570 0.293528 BFGS: 9 20:41:07 -159.700328 0.299055 BFGS: 10 20:41:07 -159.731006 0.295869 BFGS: 11 20:41:07 -159.759721 0.282166 BFGS: 12 20:41:07 -159.781807 0.264183 BFGS: 13 20:41:08 -159.797081 0.250323 BFGS: 14 20:41:08 -159.811722 0.241303 BFGS: 15 20:41:08 -159.828358 0.237959 BFGS: 16 20:41:08 -159.843619 0.241889 BFGS: 17 20:41:08 -159.853182 0.248847 BFGS: 18 20:41:08 -159.859593 0.253144 BFGS: 19 20:41:08 -159.866252 0.253213 BFGS: 20 20:41:09 -159.874848 0.247137 BFGS: 21 20:41:09 -159.883896 0.236646 BFGS: 22 20:41:09 -159.892955 0.225229 BFGS: 23 20:41:09 -159.902032 0.214243 BFGS: 24 20:41:09 -159.911093 0.204008 BFGS: 25 20:41:09 -159.920108 0.194472 BFGS: 26 20:41:09 -159.929022 0.185519 BFGS: 27 20:41:10 -159.937766 0.177046 BFGS: 28 20:41:10 -159.946270 0.168968 BFGS: 29 20:41:10 -159.954474 0.161213 BFGS: 30 20:41:10 -159.962331 0.153722 BFGS: 31 20:41:10 -159.969814 0.146448 BFGS: 32 20:41:10 -159.976914 0.139349 BFGS: 33 20:41:10 -159.983633 0.132394 BFGS: 34 20:41:11 -159.989989 0.125555 BFGS: 35 20:41:11 -159.996003 0.118812 BFGS: 36 20:41:11 -160.001705 0.112145 BFGS: 37 20:41:11 -160.007125 0.105545 BFGS: 38 20:41:11 -160.012296 0.099275 BFGS: 39 20:41:11 -160.017250 0.099556 BFGS: 40 20:41:12 -160.022014 0.099657 BFGS: 41 20:41:12 -160.026616 0.099557 BFGS: 42 20:41:12 -160.031078 0.099227 BFGS: 43 20:41:12 -160.035424 0.098629 BFGS: 44 20:41:12 -160.039677 0.097717 BFGS: 45 20:41:12 -160.043857 0.096428 BFGS: 46 20:41:13 -160.047984 0.094681 BFGS: 47 20:41:13 -160.052077 0.092300 BFGS: 48 20:41:13 -160.056150 0.088919 BFGS: 49 20:41:13 -160.060201 0.083944 BFGS: 50 20:41:13 -160.064211 0.076437 BFGS: 51 20:41:13 -160.068145 0.069819 BFGS: 52 20:41:14 -160.071982 0.060975 BFGS: 53 20:41:14 -160.075097 0.048047 BFGS: 54 20:41:14 -160.077662 0.051224 BFGS: 55 20:41:14 -160.080226 0.052205 BFGS: 56 20:41:14 -160.081657 0.045416 BFGS: 57 20:41:14 -160.082519 0.035922 BFGS: 58 20:41:15 -160.083699 0.021456 BFGS: 59 20:41:15 -160.084958 0.019106 BFGS: 60 20:41:15 -160.085730 0.021599 BFGS: 61 20:41:15 -160.086143 0.018448 BFGS: 62 20:41:15 -160.086319 0.018291 BFGS: 63 20:41:15 -160.086546 0.018090 BFGS: 64 20:41:16 -160.086731 0.017895 BFGS: 65 20:41:16 -160.086846 0.017712 BFGS: 66 20:41:16 -160.086911 0.017520 BFGS: 67 20:41:16 -160.086984 0.017203 BFGS: 68 20:41:16 -160.087099 0.016583 BFGS: 69 20:41:16 -160.087256 0.015567 BFGS: 70 20:41:17 -160.087389 0.014540 BFGS: 71 20:41:17 -160.087468 0.013909 BFGS: 72 20:41:17 -160.087519 0.013527 BFGS: 73 20:41:17 -160.087573 0.013079 BFGS: 74 20:41:17 -160.087658 0.012214 BFGS: 75 20:41:17 -160.087854 0.012420 BFGS: 76 20:41:17 -160.089928 0.071124 BFGS: 77 20:41:18 -160.090562 0.078165 BFGS: 78 20:41:18 -160.094637 0.051107 BFGS: 79 20:41:18 -160.095869 0.048314 BFGS: 80 20:41:18 -160.096611 0.044389 BFGS: 81 20:41:18 -160.097186 0.039878 BFGS: 82 20:41:18 -160.097978 0.032799 BFGS: 83 20:41:18 -160.098834 0.024494 BFGS: 84 20:41:19 -160.099418 0.019002 BFGS: 85 20:41:19 -160.099685 0.018247 BFGS: 86 20:41:19 -160.099868 0.018578 BFGS: 87 20:41:19 -160.100090 0.018418 BFGS: 88 20:41:19 -160.100330 0.017295 BFGS: 89 20:41:19 -160.100512 0.015314 BFGS: 90 20:41:20 -160.100627 0.014434 BFGS: 91 20:41:20 -160.100727 0.014636 BFGS: 92 20:41:20 -160.100834 0.013062 BFGS: 93 20:41:20 -160.100921 0.012554 BFGS: 94 20:41:20 -160.100977 0.013985 BFGS: 95 20:41:21 -160.101023 0.014745 BFGS: 96 20:41:21 -160.101082 0.014758 BFGS: 97 20:41:21 -160.101154 0.013725 BFGS: 98 20:41:21 -160.101214 0.012023 BFGS: 99 20:41:21 -160.101253 0.010544 BFGS: 100 20:41:21 -160.101289 0.009864 BFGS: 101 20:41:22 -160.101343 0.010145 BFGS: 102 20:41:22 -160.101414 0.010025 BFGS: 103 20:41:22 -160.101473 0.009389 BFGS: 104 20:41:22 -160.101504 0.008709 BFGS: 105 20:41:22 -160.101522 0.008752 BFGS: 106 20:41:22 -160.101544 0.008880 BFGS: 107 20:41:23 -160.101570 0.008492 BFGS: 108 20:41:23 -160.101590 0.007796 BFGS: 109 20:41:23 -160.101602 0.007974 BFGS: 110 20:41:23 -160.101610 0.008098 BFGS: 111 20:41:24 -160.101622 0.008131 BFGS: 112 20:41:24 -160.101639 0.007974 BFGS: 113 20:41:24 -160.101660 0.008428 BFGS: 114 20:41:24 -160.101682 0.007661 BFGS: 115 20:41:24 -160.101706 0.007097 BFGS: 116 20:41:25 -160.101730 0.006760 BFGS: 117 20:41:25 -160.101749 0.006162 BFGS: 118 20:41:25 -160.101762 0.005993 BFGS: 119 20:41:25 -160.101773 0.006086 BFGS: 120 20:41:25 -160.101787 0.006084 BFGS: 121 20:41:26 -160.101803 0.005863 BFGS: 122 20:41:26 -160.101817 0.005447 BFGS: 123 20:41:26 -160.101825 0.005368 BFGS: 124 20:41:26 -160.101833 0.005480 BFGS: 125 20:41:26 -160.101842 0.005428 BFGS: 126 20:41:27 -160.101853 0.005235 BFGS: 127 20:41:27 -160.101860 0.005008 BFGS: 128 20:41:27 -160.101863 0.004801 BFGS: 129 20:41:27 -160.101867 0.004599 BFGS: 130 20:41:27 -160.101872 0.004596 BFGS: 131 20:41:28 -160.101879 0.004525 BFGS: 132 20:41:28 -160.101885 0.004327 BFGS: 133 20:41:28 -160.101887 0.004260 BFGS: 134 20:41:28 -160.101888 0.004356 BFGS: 135 20:41:28 -160.101888 0.004437 BFGS: 136 20:41:29 -160.101890 0.004500 BFGS: 137 20:41:29 -160.101892 0.004480 BFGS: 138 20:41:29 -160.101894 0.004352 BFGS: 139 20:41:29 -160.101895 0.004221 BFGS: 140 20:41:29 -160.101895 0.004147 BFGS: 141 20:41:29 -160.101896 0.004105 BFGS: 142 20:41:30 -160.101896 0.004115 BFGS: 143 20:41:30 -160.101897 0.004171 BFGS: 144 20:41:30 -160.101897 0.004218 BFGS: 145 20:41:30 -160.101897 0.004245 BFGS: 146 20:41:30 -160.101897 0.004251 BFGS: 147 20:41:31 -160.101898 0.004214 BFGS: 148 20:41:31 -160.101898 0.004125 BFGS: 149 20:41:31 -160.101898 0.004044 BFGS: 150 20:41:31 -160.101898 0.004008 BFGS: 151 20:41:32 -160.101898 0.003989 BFGS: 152 20:41:32 -160.101898 0.003975 BFGS: 153 20:41:32 -160.101898 0.003968 BFGS: 154 20:41:32 -160.101899 0.003979 BFGS: 155 20:41:32 -160.101899 0.004008 BFGS: 156 20:41:32 -160.101899 0.004031 BFGS: 157 20:41:33 -160.101899 0.004042 BFGS: 158 20:41:33 -160.101899 0.004050 BFGS: 159 20:41:33 -160.101899 0.004057 BFGS: 160 20:41:33 -160.101899 0.004061 BFGS: 161 20:41:33 -160.101899 0.004059 BFGS: 162 20:41:34 -160.101899 0.004053 BFGS: 163 20:41:34 -160.101899 0.004044 BFGS: 164 20:41:34 -160.101899 0.004033 BFGS: 165 20:41:34 -160.101899 0.004024 BFGS: 166 20:41:34 -160.101899 0.004023 BFGS: 167 20:41:35 -160.101899 0.004025 BFGS: 168 20:41:35 -160.101899 0.004027 BFGS: 169 20:41:35 -160.101899 0.004028 BFGS: 170 20:41:35 -160.101899 0.004027 BFGS: 171 20:41:35 -160.101899 0.004021 BFGS: 172 20:41:36 -160.101899 0.004012 BFGS: 173 20:41:36 -160.101899 0.004005 BFGS: 174 20:41:36 -160.101899 0.004003 BFGS: 175 20:41:36 -160.101899 0.004004 BFGS: 176 20:41:36 -160.101899 0.004007 BFGS: 177 20:41:37 -160.101899 0.004011 BFGS: 178 20:41:37 -160.101899 0.004014 BFGS: 179 20:41:37 -160.101899 0.004016 BFGS: 180 20:41:37 -160.101899 0.004017 BFGS: 181 20:41:37 -160.101899 0.004017 BFGS: 182 20:41:38 -160.101899 0.004017 BFGS: 183 20:41:38 -160.101899 0.004016 BFGS: 184 20:41:38 -160.101899 0.004015 BFGS: 185 20:41:38 -160.101899 0.004014 BFGS: 186 20:41:38 -160.101899 0.004014 BFGS: 187 20:41:39 -160.101899 0.004014 BFGS: 188 20:41:39 -160.101899 0.004014 BFGS: 189 20:41:39 -160.101899 0.004014 BFGS: 190 20:41:39 -160.101899 0.004014 BFGS: 191 20:41:39 -160.101899 0.004014 BFGS: 192 20:41:40 -160.101899 0.004013 BFGS: 193 20:41:40 -160.101899 0.004012 BFGS: 194 20:41:40 -160.101899 0.004009 BFGS: 195 20:41:40 -160.101899 0.004006 BFGS: 196 20:41:40 -160.101899 0.004004 BFGS: 197 20:41:41 -160.101899 0.004003 BFGS: 198 20:41:41 -160.101899 0.004003 BFGS: 199 20:41:41 -160.101899 0.004003 BFGS: 200 20:41:41 -160.101899 0.004004 BFGS: 201 20:41:41 -160.101899 0.004006 BFGS: 202 20:41:41 -160.101899 0.004008 BFGS: 203 20:41:42 -160.101899 0.004011 BFGS: 204 20:41:42 -160.101900 0.004012 BFGS: 205 20:41:42 -160.101901 0.004006 BFGS: 206 20:41:42 -160.101904 0.003975 BFGS: 207 20:41:42 -160.101913 0.003872 BFGS: 208 20:41:43 -160.101933 0.004103 BFGS: 209 20:41:43 -160.101974 0.005501 BFGS: 210 20:41:43 -160.102036 0.005961 BFGS: 211 20:41:43 -160.102087 0.003791 BFGS: 212 20:41:44 -160.102103 0.001059 BFGS: 213 20:41:44 -160.102105 0.000078 BFGS: 214 20:41:44 -160.102105 0.000007 BFGS: 215 20:41:44 -160.102105 0.000001 BFGS: 216 20:41:44 -160.102105 0.000000 BFGS: 217 20:41:45 -160.102105 0.000000 BFGS: 218 20:41:45 -160.102105 0.000000 Minimization converged after 218 steps. Maximum force component: 7.472433891253488e-09 eV/Angstrom Maximum stress component: 7.910420399138287e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.21973727e-01 7.78026273e-01 6.66666670e-01] [2.21973727e-01 4.43947454e-01 3.33333337e-01] [5.56052546e-01 7.78026273e-01 3.33333338e-09] [8.90860185e-01 1.09139815e-01 6.66666670e-01] [8.90860185e-01 7.81720370e-01 3.33333337e-01] [2.18279630e-01 1.09139815e-01 3.33333338e-09] [5.57964497e-01 4.44940271e-01 7.98304176e-01] [5.55059729e-01 1.13024226e-01 4.64970843e-01] [8.86975774e-01 4.42035503e-01 1.31637510e-01] [5.55059729e-01 4.42035503e-01 5.35029164e-01] [8.86975774e-01 4.44940271e-01 8.68362497e-01] [5.57964497e-01 1.13024226e-01 2.01695830e-01] [5.66421470e-01 4.43295160e-01 9.41365265e-01] [5.56704840e-01 1.23126311e-01 6.08031931e-01] [8.76873689e-01 4.33578530e-01 2.74698598e-01] [5.56704840e-01 4.33578530e-01 3.91968075e-01] [8.76873689e-01 4.43295160e-01 7.25301409e-01] [5.66421470e-01 1.23126311e-01 5.86347421e-02] [2.24979185e-01 4.44743217e-01 4.79287377e-01] [5.55256783e-01 7.80235968e-01 1.45954044e-01] [2.19764032e-01 7.75020815e-01 8.12620711e-01] [5.55256783e-01 7.75020815e-01 8.54045963e-01] [2.19764032e-01 4.44743217e-01 1.87379296e-01] [2.24979185e-01 7.80235968e-01 5.20712629e-01] [2.40333709e-01 4.45565724e-01 6.14571025e-01] [5.54434276e-01 7.94767985e-01 2.81237692e-01] [2.05232015e-01 7.59666291e-01 9.47904358e-01] [5.54434276e-01 7.59666291e-01 7.18762315e-01] [2.05232015e-01 4.45565724e-01 5.20956482e-02] [2.40333709e-01 7.94767985e-01 3.85428982e-01] [2.21917497e-01 1.10693575e-01 1.45932950e-01] [8.89306425e-01 1.11223922e-01 8.12599616e-01] [8.88776078e-01 7.78082503e-01 4.79266283e-01] [8.89306425e-01 7.78082503e-01 1.87400390e-01] [8.88776078e-01 1.10693575e-01 5.20733724e-01] [2.21917497e-01 1.11223922e-01 8.54067057e-01] [2.38448811e-01 1.10992676e-01 2.81235757e-01] [8.89007324e-01 1.27456134e-01 9.47902423e-01] [8.72543866e-01 7.61551189e-01 6.14569090e-01] [8.89007324e-01 7.61551189e-01 5.20975833e-02] [8.72543866e-01 1.10992676e-01 3.85430917e-01] [2.38448811e-01 1.27456134e-01 7.18764250e-01] [5.47254019e-01 4.45781732e-01 9.63019557e-02] [5.54218268e-01 1.01472286e-01 7.62968622e-01] [8.98527714e-01 4.52745981e-01 4.29635289e-01] [5.54218268e-01 4.52745981e-01 2.37031384e-01] [8.98527714e-01 4.45781732e-01 5.70364718e-01] [5.47254019e-01 1.01472286e-01 9.03698051e-01] [2.14614638e-01 4.43650458e-01 7.64085467e-01] [5.56349542e-01 7.70964180e-01 4.30752134e-01] [2.29035820e-01 7.85385362e-01 9.74188006e-02] [5.56349542e-01 7.85385362e-01 5.69247873e-01] [2.29035820e-01 4.43650458e-01 9.02581206e-01] [2.14614638e-01 7.70964180e-01 2.35914539e-01] [2.14482376e-01 1.11047395e-01 4.30350601e-01] [8.88952605e-01 1.03434980e-01 9.70172674e-02] [8.96565020e-01 7.85517624e-01 7.63683934e-01] [8.88952605e-01 7.85517624e-01 9.02982739e-01] [8.96565020e-01 1.11047395e-01 2.36316073e-01] [2.14482376e-01 1.03434980e-01 5.69649406e-01]] cellpar = Cell([[7.510370717687065, 4.136420739119848e-18, 2.4977335708217045e-38], [-3.7551853588435327, 6.504171833355766, 1.2628485752338323e-37], [5.956266825603787e-38, 6.262545233923683e-37, 18.66139035059592]]) forces = [[-1.77608659e-10 1.02542407e-10 1.53346263e-31] [ 3.74748054e-28 -2.05084814e-10 -4.37570583e-48] [ 1.77608659e-10 1.02542407e-10 1.53346263e-31] [ 2.52929175e-10 -1.46028727e-10 -6.13385054e-31] [ 9.71943327e-27 2.92057455e-10 -6.13385054e-31] [-2.52929175e-10 -1.46028727e-10 3.06692527e-31] [-5.95086190e-10 1.73994035e-10 1.37494400e-09] [ 1.46859840e-10 -6.02356776e-10 1.37494400e-09] [ 4.48226350e-10 4.28362740e-10 1.37494400e-09] [-4.48226350e-10 4.28362740e-10 -1.37494400e-09] [ 5.95086190e-10 1.73994035e-10 -1.37494400e-09] [-1.46859840e-10 -6.02356776e-10 -1.37494400e-09] [ 1.19995102e-09 -3.12562367e-10 1.50192247e-09] [-3.29288559e-10 1.19546925e-09 1.50192247e-09] [-8.70662459e-10 -8.82906882e-10 1.50192247e-09] [ 8.70662459e-10 -8.82906882e-10 -1.50192247e-09] [-1.19995102e-09 -3.12562367e-10 -1.50192247e-09] [ 3.29288559e-10 1.19546925e-09 -1.50192247e-09] [ 1.52450106e-09 -3.77622122e-10 -6.18419056e-10] [-4.35220181e-10 1.50906771e-09 -6.18419056e-10] [-1.08928088e-09 -1.13144559e-09 -6.18419056e-10] [ 1.08928088e-09 -1.13144559e-09 6.18419056e-10] [-1.52450106e-09 -3.77622122e-10 6.18419056e-10] [ 4.35220181e-10 1.50906771e-09 6.18419056e-10] [-4.80588251e-10 1.20370728e-10 -5.77231982e-10] [ 1.36050017e-10 -4.76386998e-10 -5.77231982e-10] [ 3.44538234e-10 3.56016270e-10 -5.77231982e-10] [-3.44538234e-10 3.56016270e-10 5.77231982e-10] [ 4.80588251e-10 1.20370728e-10 5.77231982e-10] [-1.36050017e-10 -4.76386998e-10 5.77231982e-10] [-3.69358250e-10 -5.39806910e-10 -3.86099615e-10] [ 6.52165622e-10 -4.99701723e-11 -3.86099615e-10] [-2.82807372e-10 5.89777082e-10 -3.86099615e-10] [ 2.82807372e-10 5.89777082e-10 3.86099615e-10] [ 3.69358250e-10 -5.39806910e-10 3.86099615e-10] [-6.52165622e-10 -4.99701723e-11 3.86099615e-10] [-4.05139266e-10 3.89858560e-10 -1.29561997e-09] [-1.35057784e-10 -5.45790176e-10 -1.29561997e-09] [ 5.40197050e-10 1.55931616e-10 -1.29561997e-09] [-5.40197050e-10 1.55931616e-10 1.29561997e-09] [ 4.05139266e-10 3.89858560e-10 1.29561997e-09] [ 1.35057784e-10 -5.45790176e-10 1.29561997e-09] [ 5.75706357e-10 -7.06668142e-10 -7.47243389e-09] [ 3.24139384e-10 8.51910401e-10 -7.47243389e-09] [-8.99845741e-10 -1.45242260e-10 -7.47243389e-09] [ 8.99845741e-10 -1.45242260e-10 7.47243389e-09] [-5.75706357e-10 -7.06668142e-10 7.47243389e-09] [-3.24139384e-10 8.51910401e-10 7.47243389e-09] [ 5.44752279e-10 4.35659182e-10 1.04191826e-09] [-6.49668059e-10 2.53939722e-10 1.04191826e-09] [ 1.04915779e-10 -6.89598904e-10 1.04191826e-09] [-1.04915779e-10 -6.89598904e-10 -1.04191826e-09] [-5.44752279e-10 4.35659182e-10 -1.04191826e-09] [ 6.49668059e-10 2.53939722e-10 -1.04191826e-09] [ 1.07648031e-09 2.44417131e-10 6.65480453e-10] [-7.49911600e-10 8.10050730e-10 6.65480453e-10] [-3.26568711e-10 -1.05446786e-09 6.65480453e-10] [ 3.26568711e-10 -1.05446786e-09 -6.65480453e-10] [-1.07648031e-09 2.44417131e-10 -6.65480453e-10] [ 7.49911600e-10 8.10050730e-10 -6.65480453e-10]] stress = [ 7.91042040e-11 7.91042040e-11 -1.94751468e-11 -5.07755294e-34 -6.70197315e-49 1.84467964e-26] energy per atom = -2.6683684216765884 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0