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: Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000 ==== 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 11:22:52 -155.395792 2.146826 BFGS: 1 11:22:52 -156.556023 1.188740 BFGS: 2 11:22:52 -157.865155 1.092239 BFGS: 3 11:22:53 -158.595583 0.871921 BFGS: 4 11:22:53 -159.055497 0.704923 BFGS: 5 11:22:53 -159.355128 0.688378 BFGS: 6 11:22:53 -159.535895 0.497636 BFGS: 7 11:22:53 -159.659409 0.274340 BFGS: 8 11:22:53 -159.683570 0.293528 BFGS: 9 11:22:53 -159.700328 0.299055 BFGS: 10 11:22:53 -159.731006 0.295869 BFGS: 11 11:22:53 -159.759721 0.282166 BFGS: 12 11:22:53 -159.781807 0.264183 BFGS: 13 11:22:53 -159.797081 0.250323 BFGS: 14 11:22:53 -159.811722 0.241303 BFGS: 15 11:22:53 -159.828358 0.237959 BFGS: 16 11:22:53 -159.843619 0.241889 BFGS: 17 11:22:54 -159.853182 0.248847 BFGS: 18 11:22:54 -159.859593 0.253144 BFGS: 19 11:22:54 -159.866252 0.253213 BFGS: 20 11:22:54 -159.874848 0.247137 BFGS: 21 11:22:54 -159.883896 0.236646 BFGS: 22 11:22:54 -159.892955 0.225229 BFGS: 23 11:22:54 -159.902032 0.214243 BFGS: 24 11:22:54 -159.911093 0.204008 BFGS: 25 11:22:54 -159.920108 0.194472 BFGS: 26 11:22:54 -159.929022 0.185519 BFGS: 27 11:22:54 -159.937766 0.177046 BFGS: 28 11:22:54 -159.946270 0.168968 BFGS: 29 11:22:54 -159.954474 0.161213 BFGS: 30 11:22:54 -159.962331 0.153722 BFGS: 31 11:22:54 -159.969814 0.146448 BFGS: 32 11:22:54 -159.976914 0.139349 BFGS: 33 11:22:54 -159.983633 0.132394 BFGS: 34 11:22:54 -159.989989 0.125555 BFGS: 35 11:22:54 -159.996003 0.118812 BFGS: 36 11:22:55 -160.001705 0.112145 BFGS: 37 11:22:55 -160.007125 0.105545 BFGS: 38 11:22:55 -160.012296 0.099275 BFGS: 39 11:22:55 -160.017250 0.099556 BFGS: 40 11:22:55 -160.022014 0.099657 BFGS: 41 11:22:55 -160.026616 0.099557 BFGS: 42 11:22:55 -160.031078 0.099227 BFGS: 43 11:22:55 -160.035424 0.098629 BFGS: 44 11:22:55 -160.039677 0.097717 BFGS: 45 11:22:55 -160.043857 0.096428 BFGS: 46 11:22:55 -160.047984 0.094681 BFGS: 47 11:22:55 -160.052077 0.092300 BFGS: 48 11:22:55 -160.056150 0.088919 BFGS: 49 11:22:55 -160.060201 0.083944 BFGS: 50 11:22:55 -160.064211 0.076437 BFGS: 51 11:22:56 -160.068145 0.069819 BFGS: 52 11:22:56 -160.071982 0.060975 BFGS: 53 11:22:56 -160.075097 0.048047 BFGS: 54 11:22:56 -160.077662 0.051224 BFGS: 55 11:22:56 -160.080226 0.052205 BFGS: 56 11:22:56 -160.081657 0.045416 BFGS: 57 11:22:56 -160.082519 0.035922 BFGS: 58 11:22:56 -160.083699 0.021456 BFGS: 59 11:22:56 -160.084958 0.019106 BFGS: 60 11:22:56 -160.085730 0.021599 BFGS: 61 11:22:56 -160.086143 0.018448 BFGS: 62 11:22:56 -160.086319 0.018291 BFGS: 63 11:22:56 -160.086546 0.018090 BFGS: 64 11:22:57 -160.086731 0.017895 BFGS: 65 11:22:57 -160.086846 0.017712 BFGS: 66 11:22:57 -160.086911 0.017520 BFGS: 67 11:22:57 -160.086984 0.017203 BFGS: 68 11:22:57 -160.087099 0.016583 BFGS: 69 11:22:57 -160.087256 0.015567 BFGS: 70 11:22:57 -160.087389 0.014540 BFGS: 71 11:22:57 -160.087468 0.013909 BFGS: 72 11:22:58 -160.087519 0.013527 BFGS: 73 11:22:58 -160.087573 0.013079 BFGS: 74 11:22:58 -160.087658 0.012214 BFGS: 75 11:22:58 -160.087854 0.012420 BFGS: 76 11:22:58 -160.089928 0.071124 BFGS: 77 11:22:58 -160.090562 0.078166 BFGS: 78 11:22:58 -160.094637 0.051107 BFGS: 79 11:22:58 -160.095869 0.048314 BFGS: 80 11:22:58 -160.096611 0.044390 BFGS: 81 11:22:58 -160.097186 0.039878 BFGS: 82 11:22:58 -160.097978 0.032799 BFGS: 83 11:22:58 -160.098833 0.024494 BFGS: 84 11:22:59 -160.099418 0.019002 BFGS: 85 11:22:59 -160.099685 0.018247 BFGS: 86 11:22:59 -160.099868 0.018578 BFGS: 87 11:22:59 -160.100090 0.018418 BFGS: 88 11:22:59 -160.100331 0.017295 BFGS: 89 11:22:59 -160.100513 0.015314 BFGS: 90 11:22:59 -160.100627 0.014434 BFGS: 91 11:22:59 -160.100727 0.014636 BFGS: 92 11:22:59 -160.100834 0.013063 BFGS: 93 11:22:59 -160.100921 0.012553 BFGS: 94 11:22:59 -160.100977 0.013985 BFGS: 95 11:23:00 -160.101023 0.014744 BFGS: 96 11:23:00 -160.101082 0.014757 BFGS: 97 11:23:00 -160.101154 0.013725 BFGS: 98 11:23:00 -160.101214 0.012022 BFGS: 99 11:23:00 -160.101253 0.010543 BFGS: 100 11:23:00 -160.101289 0.009863 BFGS: 101 11:23:00 -160.101343 0.010144 BFGS: 102 11:23:00 -160.101414 0.010024 BFGS: 103 11:23:00 -160.101473 0.009388 BFGS: 104 11:23:00 -160.101504 0.008709 BFGS: 105 11:23:00 -160.101522 0.008751 BFGS: 106 11:23:01 -160.101544 0.008879 BFGS: 107 11:23:01 -160.101570 0.008491 BFGS: 108 11:23:01 -160.101590 0.007796 BFGS: 109 11:23:01 -160.101602 0.007974 BFGS: 110 11:23:01 -160.101610 0.008097 BFGS: 111 11:23:01 -160.101622 0.008130 BFGS: 112 11:23:01 -160.101639 0.007973 BFGS: 113 11:23:01 -160.101660 0.008428 BFGS: 114 11:23:01 -160.101683 0.007661 BFGS: 115 11:23:01 -160.101706 0.007096 BFGS: 116 11:23:01 -160.101730 0.006759 BFGS: 117 11:23:01 -160.101750 0.006161 BFGS: 118 11:23:02 -160.101762 0.005992 BFGS: 119 11:23:02 -160.101773 0.006085 BFGS: 120 11:23:02 -160.101787 0.006083 BFGS: 121 11:23:02 -160.101803 0.005862 BFGS: 122 11:23:02 -160.101817 0.005446 BFGS: 123 11:23:02 -160.101825 0.005367 BFGS: 124 11:23:02 -160.101833 0.005479 BFGS: 125 11:23:02 -160.101842 0.005427 BFGS: 126 11:23:02 -160.101853 0.005234 BFGS: 127 11:23:03 -160.101860 0.005007 BFGS: 128 11:23:03 -160.101863 0.004800 BFGS: 129 11:23:03 -160.101867 0.004598 BFGS: 130 11:23:03 -160.101872 0.004595 BFGS: 131 11:23:03 -160.101879 0.004524 BFGS: 132 11:23:03 -160.101885 0.004326 BFGS: 133 11:23:03 -160.101887 0.004259 BFGS: 134 11:23:03 -160.101888 0.004356 BFGS: 135 11:23:03 -160.101888 0.004437 BFGS: 136 11:23:03 -160.101890 0.004500 BFGS: 137 11:23:03 -160.101892 0.004479 BFGS: 138 11:23:04 -160.101894 0.004351 BFGS: 139 11:23:04 -160.101895 0.004220 BFGS: 140 11:23:04 -160.101895 0.004146 BFGS: 141 11:23:04 -160.101896 0.004104 BFGS: 142 11:23:04 -160.101896 0.004115 BFGS: 143 11:23:04 -160.101897 0.004170 BFGS: 144 11:23:04 -160.101897 0.004217 BFGS: 145 11:23:04 -160.101897 0.004244 BFGS: 146 11:23:05 -160.101897 0.004250 BFGS: 147 11:23:05 -160.101898 0.004213 BFGS: 148 11:23:05 -160.101898 0.004124 BFGS: 149 11:23:05 -160.101898 0.004043 BFGS: 150 11:23:05 -160.101898 0.004007 BFGS: 151 11:23:05 -160.101898 0.003988 BFGS: 152 11:23:05 -160.101898 0.003974 BFGS: 153 11:23:05 -160.101898 0.003967 BFGS: 154 11:23:05 -160.101899 0.003978 BFGS: 155 11:23:05 -160.101899 0.004007 BFGS: 156 11:23:05 -160.101899 0.004031 BFGS: 157 11:23:05 -160.101899 0.004041 BFGS: 158 11:23:05 -160.101899 0.004049 BFGS: 159 11:23:05 -160.101899 0.004056 BFGS: 160 11:23:06 -160.101899 0.004060 BFGS: 161 11:23:06 -160.101899 0.004059 BFGS: 162 11:23:06 -160.101899 0.004052 BFGS: 163 11:23:06 -160.101899 0.004043 BFGS: 164 11:23:06 -160.101899 0.004032 BFGS: 165 11:23:06 -160.101899 0.004023 BFGS: 166 11:23:06 -160.101899 0.004022 BFGS: 167 11:23:06 -160.101899 0.004024 BFGS: 168 11:23:06 -160.101899 0.004026 BFGS: 169 11:23:06 -160.101899 0.004027 BFGS: 170 11:23:06 -160.101899 0.004026 BFGS: 171 11:23:07 -160.101899 0.004021 BFGS: 172 11:23:07 -160.101899 0.004012 BFGS: 173 11:23:07 -160.101899 0.004004 BFGS: 174 11:23:07 -160.101899 0.004003 BFGS: 175 11:23:07 -160.101899 0.004003 BFGS: 176 11:23:07 -160.101899 0.004006 BFGS: 177 11:23:07 -160.101899 0.004010 BFGS: 178 11:23:07 -160.101899 0.004014 BFGS: 179 11:23:07 -160.101899 0.004015 BFGS: 180 11:23:07 -160.101899 0.004016 BFGS: 181 11:23:07 -160.101899 0.004016 BFGS: 182 11:23:07 -160.101899 0.004016 BFGS: 183 11:23:08 -160.101899 0.004015 BFGS: 184 11:23:08 -160.101899 0.004014 BFGS: 185 11:23:08 -160.101899 0.004013 BFGS: 186 11:23:08 -160.101899 0.004013 BFGS: 187 11:23:08 -160.101899 0.004013 BFGS: 188 11:23:08 -160.101899 0.004013 BFGS: 189 11:23:08 -160.101899 0.004013 BFGS: 190 11:23:08 -160.101899 0.004013 BFGS: 191 11:23:08 -160.101899 0.004013 BFGS: 192 11:23:08 -160.101899 0.004012 BFGS: 193 11:23:08 -160.101899 0.004011 BFGS: 194 11:23:08 -160.101899 0.004009 BFGS: 195 11:23:08 -160.101899 0.004005 BFGS: 196 11:23:08 -160.101899 0.004003 BFGS: 197 11:23:09 -160.101899 0.004002 BFGS: 198 11:23:09 -160.101899 0.004002 BFGS: 199 11:23:09 -160.101899 0.004002 BFGS: 200 11:23:09 -160.101899 0.004003 BFGS: 201 11:23:09 -160.101899 0.004005 BFGS: 202 11:23:09 -160.101899 0.004007 BFGS: 203 11:23:09 -160.101899 0.004010 BFGS: 204 11:23:09 -160.101900 0.004011 BFGS: 205 11:23:09 -160.101901 0.004005 BFGS: 206 11:23:09 -160.101904 0.003974 BFGS: 207 11:23:09 -160.101913 0.003871 BFGS: 208 11:23:09 -160.101933 0.004103 BFGS: 209 11:23:10 -160.101974 0.005500 BFGS: 210 11:23:10 -160.102036 0.005960 BFGS: 211 11:23:10 -160.102087 0.003792 BFGS: 212 11:23:10 -160.102103 0.001060 BFGS: 213 11:23:10 -160.102105 0.000078 BFGS: 214 11:23:10 -160.102105 0.000007 BFGS: 215 11:23:10 -160.102105 0.000001 BFGS: 216 11:23:10 -160.102105 0.000000 BFGS: 217 11:23:10 -160.102105 0.000000 BFGS: 218 11:23:10 -160.102105 0.000000 Minimization converged after 218 steps. Maximum force component: 7.471972361269336e-09 eV/Angstrom Maximum stress component: 7.910132414155069e-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([[7.510370717686995, -3.8282868655404595e-19, -2.7817156595171934e-39], [-3.7551853588434976, 6.504171833355707, 8.055048341666823e-38], [-6.479633870729727e-39, -2.2690237741715137e-37, 18.661390350596182]]) forces = [[-1.77756650e-10 1.02627850e-10 1.53346263e-31] [ 3.64197742e-27 -2.05255700e-10 3.06692527e-31] [ 1.77756650e-10 1.02627850e-10 6.13385054e-31] [ 2.52774771e-10 -1.45939582e-10 -1.53346263e-31] [-1.14264244e-26 2.91879165e-10 1.22677011e-30] [-2.52774771e-10 -1.45939582e-10 -3.06692527e-31] [-5.94877880e-10 1.73923143e-10 1.37486823e-09] [ 1.46817080e-10 -6.02140928e-10 1.37486823e-09] [ 4.48060800e-10 4.28217785e-10 1.37486823e-09] [-4.48060800e-10 4.28217785e-10 -1.37486823e-09] [ 5.94877880e-10 1.73923143e-10 -1.37486823e-09] [-1.46817080e-10 -6.02140928e-10 -1.37486823e-09] [ 1.19984428e-09 -3.12581463e-10 1.50187797e-09] [-3.29218651e-10 1.19538636e-09 1.50187797e-09] [-8.70625626e-10 -8.82804893e-10 1.50187797e-09] [ 8.70625626e-10 -8.82804893e-10 -1.50187797e-09] [-1.19984428e-09 -3.12581463e-10 -1.50187797e-09] [ 3.29218651e-10 1.19538636e-09 -1.50187797e-09] [ 1.52447506e-09 -3.77661160e-10 -6.18478145e-10] [-4.35173371e-10 1.50906471e-09 -6.18478145e-10] [-1.08930169e-09 -1.13140355e-09 -6.18478145e-10] [ 1.08930169e-09 -1.13140355e-09 6.18478145e-10] [-1.52447506e-09 -3.77661160e-10 6.18478145e-10] [ 4.35173371e-10 1.50906471e-09 6.18478145e-10] [-4.80668771e-10 1.20293705e-10 -5.77533796e-10] [ 1.36156982e-10 -4.76418219e-10 -5.77533796e-10] [ 3.44511790e-10 3.56124514e-10 -5.77533796e-10] [-3.44511790e-10 3.56124514e-10 5.77533796e-10] [ 4.80668771e-10 1.20293705e-10 5.77533796e-10] [-1.36156982e-10 -4.76418219e-10 5.77533796e-10] [-3.69202392e-10 -5.40021631e-10 -3.86169433e-10] [ 6.52273647e-10 -4.97278350e-11 -3.86169433e-10] [-2.83071255e-10 5.89749466e-10 -3.86169433e-10] [ 2.83071255e-10 5.89749466e-10 3.86169433e-10] [ 3.69202392e-10 -5.40021631e-10 3.86169433e-10] [-6.52273647e-10 -4.97278350e-11 3.86169433e-10] [-4.05213699e-10 3.90011802e-10 -1.29593551e-09] [-1.35153278e-10 -5.45931258e-10 -1.29593551e-09] [ 5.40366978e-10 1.55919457e-10 -1.29593551e-09] [-5.40366978e-10 1.55919457e-10 1.29593551e-09] [ 4.05213699e-10 3.90011802e-10 1.29593551e-09] [ 1.35153278e-10 -5.45931258e-10 1.29593551e-09] [ 5.75692167e-10 -7.06600876e-10 -7.47197236e-09] [ 3.24088225e-10 8.51864479e-10 -7.47197236e-09] [-8.99780392e-10 -1.45263603e-10 -7.47197236e-09] [ 8.99780392e-10 -1.45263603e-10 7.47197236e-09] [-5.75692167e-10 -7.06600876e-10 7.47197236e-09] [-3.24088225e-10 8.51864479e-10 7.47197236e-09] [ 5.44444547e-10 4.35347601e-10 1.04227357e-09] [-6.49244356e-10 2.53829008e-10 1.04227357e-09] [ 1.04799808e-10 -6.89176609e-10 1.04227357e-09] [-1.04799808e-10 -6.89176609e-10 -1.04227357e-09] [-5.44444547e-10 4.35347601e-10 -1.04227357e-09] [ 6.49244356e-10 2.53829008e-10 -1.04227357e-09] [ 1.07628632e-09 2.44402026e-10 6.65668502e-10] [-7.49801522e-10 8.09890280e-10 6.65668502e-10] [-3.26484796e-10 -1.05429231e-09 6.65668502e-10] [ 3.26484796e-10 -1.05429231e-09 -6.65668502e-10] [-1.07628632e-09 2.44402026e-10 -6.65668502e-10] [ 7.49801522e-10 8.09890280e-10 -6.65668502e-10]] stress = [ 7.91013241e-11 7.91013241e-11 -1.94652607e-11 2.70802824e-34 -3.20085270e-49 4.69080041e-28] 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