element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC96_12_4i6j_2i3j Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['19.3472', '0.97092086', '0.28175136', '83.0987', '0.51795616', '0.2830057', '0.82319391', '0.7979883', '0.016632632', '0.28310881', '0.67376256', '0.8672251', '0.55868987', '0.53573905', '0.94121748', '0.46175961', '0.39209395', '0.57148861', '0.44314462', '0.31846241', '0.35556756', '0.8281281', '0.2504042', '0.72640409', '0.20314943', '0.10621322', '0.57167318', '0.56324248', '0.17887551', '0.64470287', '0.88981277', '0.24811723', '0.42187112', '0.51649826', '0.32154029', '0.57584284', '0.64236652', '0.24896125', '0.69173278', '0.92189502', '0.1751813', '0.42461072', '0.70969088'] model name: Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.48204384 0. 0.7169943 ] [0.17680609 0. 0.2020117 ] [0.98336737 0. 0.71689119] [0.32623744 0. 0.1327749 ] [0.10790605 0.07148861 0.55685538] [0.18153759 0.85556756 0.1718719 ] [0.2495958 0.22640409 0.79685057] [0.39378678 0.07167318 0.43675752] [0.32112449 0.14470287 0.11018723] [0.25188277 0.92187112 0.48350174] [0.44131013 0. 0.46426095] [0.05878252 0. 0.53824039] [0.17845971 0.07584284 0.35763348] [0.25103875 0.19173278 0.07810498] [0.3248187 0.92461072 0.29030912]] spacegroup = 12 cell = [[19.3472, 0, 0], [0, 18.7846, 0], [0.65500070775561, 0, 5.4116046864899]] ========================================= Step Time Energy fmax BFGS: 0 15:35:32 -669.094331 5.0867 BFGS: 1 15:35:34 -677.947809 2.4853 BFGS: 2 15:35:34 -680.869113 0.8573 BFGS: 3 15:35:35 -681.038700 0.7563 BFGS: 4 15:35:35 -681.169514 0.7200 BFGS: 5 15:35:35 -681.351073 0.8011 BFGS: 6 15:35:35 -681.567005 1.0041 BFGS: 7 15:35:36 -681.816774 2.1787 BFGS: 8 15:35:36 -682.206641 2.3911 BFGS: 9 15:35:36 -682.670100 2.0957 BFGS: 10 15:35:36 -683.054179 1.6704 BFGS: 11 15:35:36 -683.278676 0.8646 BFGS: 12 15:35:37 -683.335076 0.4431 BFGS: 13 15:35:37 -683.367691 0.3671 BFGS: 14 15:35:37 -683.419071 0.5214 BFGS: 15 15:35:37 -683.441379 0.3293 BFGS: 16 15:35:37 -683.449341 0.1518 BFGS: 17 15:35:37 -683.453596 0.1387 BFGS: 18 15:35:38 -683.458226 0.2146 BFGS: 19 15:35:38 -683.462795 0.1890 BFGS: 20 15:35:38 -683.466326 0.1290 BFGS: 21 15:35:38 -683.469087 0.1045 BFGS: 22 15:35:38 -683.472067 0.1451 BFGS: 23 15:35:38 -683.475740 0.1739 BFGS: 24 15:35:39 -683.480148 0.1491 BFGS: 25 15:35:39 -683.485674 0.1336 BFGS: 26 15:35:39 -683.492609 0.1733 BFGS: 27 15:35:39 -683.499359 0.1981 BFGS: 28 15:35:39 -683.503628 0.1171 BFGS: 29 15:35:39 -683.505859 0.0647 BFGS: 30 15:35:39 -683.507601 0.0832 BFGS: 31 15:35:40 -683.510024 0.1538 BFGS: 32 15:35:40 -683.512799 0.1575 BFGS: 33 15:35:40 -683.515147 0.0834 BFGS: 34 15:35:40 -683.516838 0.0529 BFGS: 35 15:35:40 -683.518476 0.0942 BFGS: 36 15:35:40 -683.520593 0.1308 BFGS: 37 15:35:41 -683.522927 0.1137 BFGS: 38 15:35:41 -683.524895 0.0771 BFGS: 39 15:35:41 -683.526444 0.0654 BFGS: 40 15:35:41 -683.527981 0.1171 BFGS: 41 15:35:41 -683.529748 0.1161 BFGS: 42 15:35:41 -683.531467 0.0604 BFGS: 43 15:35:42 -683.532886 0.0334 BFGS: 44 15:35:42 -683.534264 0.0863 BFGS: 45 15:35:42 -683.535491 0.1015 BFGS: 46 15:35:42 -683.536857 0.0673 BFGS: 47 15:35:42 -683.538154 0.0387 BFGS: 48 15:35:42 -683.539375 0.0580 BFGS: 49 15:35:43 -683.540392 0.0790 BFGS: 50 15:35:43 -683.541176 0.0576 BFGS: 51 15:35:43 -683.541826 0.0287 BFGS: 52 15:35:43 -683.542560 0.0474 BFGS: 53 15:35:44 -683.543478 0.0802 BFGS: 54 15:35:44 -683.544392 0.0729 BFGS: 55 15:35:44 -683.545037 0.0318 BFGS: 56 15:35:44 -683.545445 0.0326 BFGS: 57 15:35:44 -683.545789 0.0426 BFGS: 58 15:35:44 -683.546117 0.0447 BFGS: 59 15:35:45 -683.546356 0.0344 BFGS: 60 15:35:45 -683.546515 0.0350 BFGS: 61 15:35:45 -683.546678 0.0356 BFGS: 62 15:35:45 -683.546933 0.0465 BFGS: 63 15:35:45 -683.547332 0.0487 BFGS: 64 15:35:45 -683.547914 0.0488 BFGS: 65 15:35:45 -683.548754 0.0616 BFGS: 66 15:35:45 -683.550054 0.0749 BFGS: 67 15:35:45 -683.551941 0.1248 BFGS: 68 15:35:45 -683.553928 0.1376 BFGS: 69 15:35:45 -683.555941 0.1205 BFGS: 70 15:35:46 -683.557817 0.0832 BFGS: 71 15:35:46 -683.559429 0.0351 BFGS: 72 15:35:46 -683.560744 0.0334 BFGS: 73 15:35:46 -683.561819 0.0566 BFGS: 74 15:35:46 -683.562504 0.0595 BFGS: 75 15:35:46 -683.563018 0.0319 BFGS: 76 15:35:46 -683.563211 0.0241 BFGS: 77 15:35:46 -683.563351 0.0230 BFGS: 78 15:35:46 -683.563558 0.0345 BFGS: 79 15:35:46 -683.563894 0.0454 BFGS: 80 15:35:47 -683.564297 0.0373 BFGS: 81 15:35:47 -683.564625 0.0197 BFGS: 82 15:35:47 -683.564837 0.0170 BFGS: 83 15:35:47 -683.565025 0.0239 BFGS: 84 15:35:47 -683.565287 0.0288 BFGS: 85 15:35:47 -683.565658 0.0250 BFGS: 86 15:35:47 -683.566067 0.0247 BFGS: 87 15:35:47 -683.566386 0.0166 BFGS: 88 15:35:47 -683.566603 0.0186 BFGS: 89 15:35:48 -683.566798 0.0217 BFGS: 90 15:35:48 -683.567026 0.0197 BFGS: 91 15:35:48 -683.567245 0.0155 BFGS: 92 15:35:48 -683.567366 0.0157 BFGS: 93 15:35:48 -683.567402 0.0083 BFGS: 94 15:35:48 -683.567410 0.0082 BFGS: 95 15:35:49 -683.567417 0.0082 BFGS: 96 15:35:49 -683.567428 0.0090 BFGS: 97 15:35:49 -683.567449 0.0139 BFGS: 98 15:35:49 -683.567490 0.0170 BFGS: 99 15:35:49 -683.567568 0.0155 BFGS: 100 15:35:49 -683.567715 0.0173 BFGS: 101 15:35:50 -683.567987 0.0231 BFGS: 102 15:35:50 -683.568454 0.0369 BFGS: 103 15:35:50 -683.568971 0.0524 BFGS: 104 15:35:50 -683.569523 0.0581 BFGS: 105 15:35:50 -683.570068 0.0558 BFGS: 106 15:35:50 -683.570569 0.0477 BFGS: 107 15:35:51 -683.571000 0.0357 BFGS: 108 15:35:51 -683.571341 0.0211 BFGS: 109 15:35:51 -683.571578 0.0137 BFGS: 110 15:35:51 -683.571690 0.0078 BFGS: 111 15:35:51 -683.571722 0.0085 BFGS: 112 15:35:51 -683.571743 0.0044 BFGS: 113 15:35:51 -683.571745 0.0035 BFGS: 114 15:35:51 -683.571745 0.0035 BFGS: 115 15:35:51 -683.571746 0.0035 BFGS: 116 15:35:52 -683.571747 0.0035 BFGS: 117 15:35:52 -683.571748 0.0035 BFGS: 118 15:35:52 -683.571750 0.0035 BFGS: 119 15:35:52 -683.571751 0.0036 BFGS: 120 15:35:52 -683.571755 0.0047 BFGS: 121 15:35:52 -683.571762 0.0082 BFGS: 122 15:35:52 -683.571778 0.0132 BFGS: 123 15:35:52 -683.571811 0.0188 BFGS: 124 15:35:52 -683.571861 0.0202 BFGS: 125 15:35:53 -683.571905 0.0130 BFGS: 126 15:35:53 -683.571921 0.0037 BFGS: 127 15:35:53 -683.571923 0.0002 BFGS: 128 15:35:53 -683.571923 0.0001 BFGS: 129 15:35:53 -683.571923 0.0000 BFGS: 130 15:35:53 -683.571923 0.0000 BFGS: 131 15:35:53 -683.571923 0.0000 BFGS: 132 15:35:53 -683.571923 0.0000 BFGS: 133 15:35:54 -683.571923 0.0000 BFGS: 134 15:35:54 -683.571923 0.0000 BFGS: 135 15:35:54 -683.571923 0.0000 BFGS: 136 15:35:54 -683.571923 0.0000 Minimization converged after 136 steps. Maximum force component: 2.5819660840061596e-09 eV/Angstrom Maximum stress component: 6.038252990828343e-12 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', '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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[4.84103211e-01 0.00000000e+00 7.04499975e-01] [5.15896789e-01 8.11002060e-35 2.95500025e-01] [9.84103211e-01 5.00000000e-01 7.04499975e-01] [1.58967886e-02 5.00000000e-01 2.95500025e-01] [1.76019619e-01 0.00000000e+00 2.02691999e-01] [8.23980381e-01 8.11002060e-35 7.97308001e-01] [6.76019619e-01 5.00000000e-01 2.02691999e-01] [3.23980381e-01 5.00000000e-01 7.97308001e-01] [9.96324391e-01 2.43300618e-34 7.37134544e-01] [3.67560914e-03 0.00000000e+00 2.62865456e-01] [4.96324391e-01 5.00000000e-01 7.37134544e-01] [5.03675609e-01 5.00000000e-01 2.62865456e-01] [3.26857122e-01 0.00000000e+00 1.38189700e-01] [6.73142878e-01 0.00000000e+00 8.61810300e-01] [8.26857122e-01 5.00000000e-01 1.38189700e-01] [1.73142878e-01 5.00000000e-01 8.61810300e-01] [1.14263975e-01 6.83791104e-02 5.45734326e-01] [8.85736025e-01 6.83791104e-02 4.54265674e-01] [6.14263975e-01 5.68379110e-01 5.45734326e-01] [3.85736025e-01 5.68379110e-01 4.54265674e-01] [8.85736025e-01 9.31620890e-01 4.54265674e-01] [1.14263975e-01 9.31620890e-01 5.45734326e-01] [3.85736025e-01 4.31620890e-01 4.54265674e-01] [6.14263975e-01 4.31620890e-01 5.45734326e-01] [1.84320950e-01 8.58778969e-01 1.54467538e-01] [8.15679050e-01 8.58778969e-01 8.45532462e-01] [6.84320950e-01 3.58778969e-01 1.54467538e-01] [3.15679050e-01 3.58778969e-01 8.45532462e-01] [8.15679050e-01 1.41221031e-01 8.45532462e-01] [1.84320950e-01 1.41221031e-01 1.54467538e-01] [3.15679050e-01 6.41221031e-01 8.45532462e-01] [6.84320950e-01 6.41221031e-01 1.54467538e-01] [2.48789477e-01 2.31212456e-01 8.04281440e-01] [7.51210523e-01 2.31212456e-01 1.95718560e-01] [7.48789477e-01 7.31212456e-01 8.04281440e-01] [2.51210523e-01 7.31212456e-01 1.95718560e-01] [7.51210523e-01 7.68787544e-01 1.95718560e-01] [2.48789477e-01 7.68787544e-01 8.04281440e-01] [2.51210523e-01 2.68787544e-01 1.95718560e-01] [7.48789477e-01 2.68787544e-01 8.04281440e-01] [3.92015088e-01 6.83703222e-02 4.29233432e-01] [6.07984912e-01 6.83703222e-02 5.70766568e-01] [8.92015088e-01 5.68370322e-01 4.29233432e-01] [1.07984912e-01 5.68370322e-01 5.70766568e-01] [6.07984912e-01 9.31629678e-01 5.70766568e-01] [3.92015088e-01 9.31629678e-01 4.29233432e-01] [1.07984912e-01 4.31629678e-01 5.70766568e-01] [8.92015088e-01 4.31629678e-01 4.29233432e-01] [3.17901872e-01 1.41378210e-01 9.84565688e-02] [6.82098128e-01 1.41378210e-01 9.01543431e-01] [8.17901872e-01 6.41378210e-01 9.84565688e-02] [1.82098128e-01 6.41378210e-01 9.01543431e-01] [6.82098128e-01 8.58621790e-01 9.01543431e-01] [3.17901872e-01 8.58621790e-01 9.84565688e-02] [1.82098128e-01 3.58621790e-01 9.01543431e-01] [8.17901872e-01 3.58621790e-01 9.84565688e-02] [2.53119245e-01 9.22209759e-01 4.48658030e-01] [7.46880755e-01 9.22209759e-01 5.51341970e-01] [7.53119245e-01 4.22209759e-01 4.48658030e-01] [2.46880755e-01 4.22209759e-01 5.51341970e-01] [7.46880755e-01 7.77902409e-02 5.51341970e-01] [2.53119245e-01 7.77902409e-02 4.48658030e-01] [2.46880755e-01 5.77790241e-01 5.51341970e-01] [7.53119245e-01 5.77790241e-01 4.48658030e-01] [4.36373893e-01 0.00000000e+00 4.71354815e-01] [5.63626107e-01 0.00000000e+00 5.28645185e-01] [9.36373893e-01 5.00000000e-01 4.71354815e-01] [6.36261066e-02 5.00000000e-01 5.28645185e-01] [7.03692445e-02 0.00000000e+00 6.10386639e-01] [9.29630755e-01 4.05501030e-35 3.89613361e-01] [5.70369245e-01 5.00000000e-01 6.10386639e-01] [4.29630755e-01 5.00000000e-01 3.89613361e-01] [1.78675002e-01 7.57654956e-02 3.40316316e-01] [8.21324998e-01 7.57654956e-02 6.59683684e-01] [6.78675002e-01 5.75765496e-01 3.40316316e-01] [3.21324998e-01 5.75765496e-01 6.59683684e-01] [8.21324998e-01 9.24234504e-01 6.59683684e-01] [1.78675002e-01 9.24234504e-01 3.40316316e-01] [3.21324998e-01 4.24234504e-01 6.59683684e-01] [6.78675002e-01 4.24234504e-01 3.40316316e-01] [2.50646231e-01 1.85899750e-01 6.17460781e-02] [7.49353769e-01 1.85899750e-01 9.38253922e-01] [7.50646231e-01 6.85899750e-01 6.17460781e-02] [2.49353769e-01 6.85899750e-01 9.38253922e-01] [7.49353769e-01 8.14100250e-01 9.38253922e-01] [2.50646231e-01 8.14100250e-01 6.17460781e-02] [2.49353769e-01 3.14100250e-01 9.38253922e-01] [7.50646231e-01 3.14100250e-01 6.17460781e-02] [3.25974959e-01 9.24426177e-01 2.77489240e-01] [6.74025041e-01 9.24426177e-01 7.22510760e-01] [8.25974959e-01 4.24426177e-01 2.77489240e-01] [1.74025041e-01 4.24426177e-01 7.22510760e-01] [6.74025041e-01 7.55738228e-02 7.22510760e-01] [3.25974959e-01 7.55738228e-02 2.77489240e-01] [1.74025041e-01 5.75573823e-01 7.22510760e-01] [8.25974959e-01 5.75573823e-01 2.77489240e-01]] cellpar = Cell([[19.506798178126505, -1.2867029450263369e-18, -0.24514138012510686], [-1.5198744689550994e-18, 18.99802763633352, -3.399736009225351e-17], [0.5911967728229005, -9.674071233938152e-18, 5.402948323638166]]) forces = [[ 9.44912209e-10 -6.74298640e-28 3.31764780e-10] [-9.44912209e-10 6.74298640e-28 -3.31764780e-10] [ 9.44912209e-10 -6.74298640e-28 3.31764780e-10] [-9.44912209e-10 6.74298640e-28 -3.31764780e-10] [ 1.07906157e-09 -1.50434351e-27 7.91204710e-10] [-1.07906157e-09 1.50434351e-27 -7.91204710e-10] [ 1.07906157e-09 -1.50434351e-27 7.91204710e-10] [-1.07906157e-09 1.50434351e-27 -7.91204710e-10] [-1.95884534e-09 -1.23535044e-27 7.90791208e-10] [ 1.95884534e-09 1.23546752e-27 -7.90791208e-10] [-1.95884534e-09 -1.23535044e-27 7.90791208e-10] [ 1.95884534e-09 1.23546752e-27 -7.90791208e-10] [-4.33668765e-10 6.09242811e-28 -3.20594989e-10] [ 4.33668765e-10 -6.09242811e-28 3.20594989e-10] [-4.33668765e-10 6.09242811e-28 -3.20594989e-10] [ 4.33668765e-10 -6.09242811e-28 3.20594989e-10] [-7.50462131e-10 -8.10401027e-10 1.15236475e-09] [ 7.50462131e-10 -8.10401027e-10 -1.15236475e-09] [-7.50462131e-10 -8.10401027e-10 1.15236475e-09] [ 7.50462131e-10 -8.10401027e-10 -1.15236475e-09] [ 7.50462131e-10 8.10401027e-10 -1.15236475e-09] [-7.50462131e-10 8.10401027e-10 1.15236475e-09] [ 7.50462131e-10 8.10401027e-10 -1.15236475e-09] [-7.50462131e-10 8.10401027e-10 1.15236475e-09] [-3.35161821e-10 1.16268445e-09 -1.15072999e-09] [ 3.35161821e-10 1.16268445e-09 1.15072999e-09] [-3.35161821e-10 1.16268445e-09 -1.15072999e-09] [ 3.35161821e-10 1.16268445e-09 1.15072999e-09] [ 3.35161821e-10 -1.16268445e-09 1.15072999e-09] [-3.35161821e-10 -1.16268445e-09 -1.15072999e-09] [ 3.35161821e-10 -1.16268445e-09 1.15072999e-09] [-3.35161821e-10 -1.16268445e-09 -1.15072999e-09] [-6.18043817e-10 -2.34720223e-09 -2.93579945e-10] [ 6.18043817e-10 -2.34720223e-09 2.93579945e-10] [-6.18043817e-10 -2.34720223e-09 -2.93579945e-10] [ 6.18043817e-10 -2.34720223e-09 2.93579945e-10] [ 6.18043817e-10 2.34720223e-09 2.93579945e-10] [-6.18043817e-10 2.34720223e-09 -2.93579945e-10] [ 6.18043817e-10 2.34720223e-09 2.93579945e-10] [-6.18043817e-10 2.34720223e-09 -2.93579945e-10] [-2.58196608e-09 1.75950968e-09 -4.63380361e-10] [ 2.58196608e-09 1.75950968e-09 4.63380361e-10] [-2.58196608e-09 1.75950968e-09 -4.63380361e-10] [ 2.58196608e-09 1.75950968e-09 4.63380361e-10] [ 2.58196608e-09 -1.75950968e-09 4.63380361e-10] [-2.58196608e-09 -1.75950968e-09 -4.63380361e-10] [ 2.58196608e-09 -1.75950968e-09 4.63380361e-10] [-2.58196608e-09 -1.75950968e-09 -4.63380361e-10] [ 8.05079388e-10 -1.09143357e-09 7.05075674e-10] [-8.05079388e-10 -1.09143357e-09 -7.05075674e-10] [ 8.05079388e-10 -1.09143357e-09 7.05075674e-10] [-8.05079388e-10 -1.09143357e-09 -7.05075674e-10] [-8.05079388e-10 1.09143357e-09 -7.05075674e-10] [ 8.05079388e-10 1.09143357e-09 7.05075674e-10] [-8.05079388e-10 1.09143357e-09 -7.05075674e-10] [ 8.05079388e-10 1.09143357e-09 7.05075674e-10] [ 5.54085051e-10 8.90564663e-11 -4.49495685e-11] [-5.54085051e-10 8.90564663e-11 4.49495685e-11] [ 5.54085051e-10 8.90564663e-11 -4.49495685e-11] [-5.54085051e-10 8.90564663e-11 4.49495685e-11] [-5.54085051e-10 -8.90564663e-11 4.49495685e-11] [ 5.54085051e-10 -8.90564663e-11 -4.49495685e-11] [-5.54085051e-10 -8.90564663e-11 4.49495685e-11] [ 5.54085051e-10 -8.90564663e-11 -4.49495685e-11] [ 1.04931907e-09 -5.38951391e-29 -2.17892837e-11] [-1.04931907e-09 5.38951391e-29 2.17892837e-11] [ 1.04931907e-09 -5.38951391e-29 -2.17892837e-11] [-1.04931907e-09 5.38951391e-29 2.17892837e-11] [ 2.22575061e-09 2.15103385e-27 -1.31828034e-09] [-2.22575061e-09 -2.15103385e-27 1.31828034e-09] [ 2.22575061e-09 2.15103385e-27 -1.31828034e-09] [-2.22575061e-09 -2.15103385e-27 1.31828034e-09] [ 1.58334092e-09 6.16519439e-10 -1.15620386e-09] [-1.58334092e-09 6.16519439e-10 1.15620386e-09] [ 1.58334092e-09 6.16519439e-10 -1.15620386e-09] [-1.58334092e-09 6.16519439e-10 1.15620386e-09] [-1.58334092e-09 -6.16519439e-10 1.15620386e-09] [ 1.58334092e-09 -6.16519439e-10 -1.15620386e-09] [-1.58334092e-09 -6.16519439e-10 1.15620386e-09] [ 1.58334092e-09 -6.16519439e-10 -1.15620386e-09] [-8.47846966e-10 2.03023109e-09 1.46719965e-12] [ 8.47846966e-10 2.03023109e-09 -1.46719965e-12] [-8.47846966e-10 2.03023109e-09 1.46719965e-12] [ 8.47846966e-10 2.03023109e-09 -1.46719965e-12] [ 8.47846966e-10 -2.03023109e-09 -1.46719965e-12] [-8.47846966e-10 -2.03023109e-09 1.46719965e-12] [ 8.47846966e-10 -2.03023109e-09 -1.46719965e-12] [-8.47846966e-10 -2.03023109e-09 1.46719965e-12] [-1.06306739e-09 -9.09626371e-10 -1.05823057e-09] [ 1.06306739e-09 -9.09626371e-10 1.05823057e-09] [-1.06306739e-09 -9.09626371e-10 -1.05823057e-09] [ 1.06306739e-09 -9.09626371e-10 1.05823057e-09] [ 1.06306739e-09 9.09626371e-10 1.05823057e-09] [-1.06306739e-09 9.09626371e-10 -1.05823057e-09] [ 1.06306739e-09 9.09626371e-10 1.05823057e-09] [-1.06306739e-09 9.09626371e-10 -1.05823057e-09]] stress = [-4.03136181e-12 6.03825299e-12 -3.08960787e-12 1.57925708e-31 1.63533270e-12 -7.81286105e-31] energy per atom = -7.120540862118507 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0