element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:24:57 -558.301099 0.6444 BFGS: 1 17:24:57 -558.474231 0.5506 BFGS: 2 17:24:57 -558.832331 0.2449 BFGS: 3 17:24:57 -558.860305 0.1982 BFGS: 4 17:24:57 -558.929084 0.0964 BFGS: 5 17:24:57 -558.934215 0.0950 BFGS: 6 17:24:57 -558.955065 0.0841 BFGS: 7 17:24:57 -558.961473 0.0814 BFGS: 8 17:24:57 -558.971209 0.1013 BFGS: 9 17:24:57 -558.978710 0.0860 BFGS: 10 17:24:57 -558.984283 0.0695 BFGS: 11 17:24:57 -558.986726 0.0697 BFGS: 12 17:24:57 -558.988501 0.0692 BFGS: 13 17:24:57 -558.990196 0.0690 BFGS: 14 17:24:57 -558.991502 0.0692 BFGS: 15 17:24:57 -558.992247 0.0696 BFGS: 16 17:24:58 -558.992770 0.0697 BFGS: 17 17:24:58 -558.993330 0.0695 BFGS: 18 17:24:58 -558.993938 0.0687 BFGS: 19 17:24:58 -558.994594 0.0677 BFGS: 20 17:24:58 -558.995451 0.0666 BFGS: 21 17:24:58 -558.996815 0.0652 BFGS: 22 17:24:58 -558.998970 0.0663 BFGS: 23 17:24:58 -559.001488 0.0733 BFGS: 24 17:24:58 -559.004067 0.0681 BFGS: 25 17:24:58 -559.006624 0.0563 BFGS: 26 17:24:58 -559.009092 0.0526 BFGS: 27 17:24:58 -559.011473 0.0490 BFGS: 28 17:24:58 -559.013803 0.0489 BFGS: 29 17:24:58 -559.016113 0.0466 BFGS: 30 17:24:58 -559.018428 0.0551 BFGS: 31 17:24:58 -559.020764 0.0612 BFGS: 32 17:24:58 -559.023126 0.0644 BFGS: 33 17:24:58 -559.025512 0.0648 BFGS: 34 17:24:59 -559.027906 0.0629 BFGS: 35 17:24:59 -559.030287 0.0589 BFGS: 36 17:24:59 -559.032626 0.0531 BFGS: 37 17:24:59 -559.034888 0.0459 BFGS: 38 17:24:59 -559.037031 0.0422 BFGS: 39 17:24:59 -559.039008 0.0405 BFGS: 40 17:24:59 -559.040760 0.0364 BFGS: 41 17:24:59 -559.042214 0.0284 BFGS: 42 17:24:59 -559.043224 0.0187 BFGS: 43 17:24:59 -559.043608 0.0187 BFGS: 44 17:24:59 -559.044071 0.0187 BFGS: 45 17:24:59 -559.044187 0.0187 BFGS: 46 17:24:59 -559.044284 0.0186 BFGS: 47 17:24:59 -559.044386 0.0183 BFGS: 48 17:24:59 -559.044512 0.0179 BFGS: 49 17:24:59 -559.044645 0.0174 BFGS: 50 17:24:59 -559.044815 0.0167 BFGS: 51 17:25:00 -559.045035 0.0162 BFGS: 52 17:25:00 -559.045263 0.0148 BFGS: 53 17:25:00 -559.045424 0.0140 BFGS: 54 17:25:00 -559.045522 0.0133 BFGS: 55 17:25:00 -559.045612 0.0125 BFGS: 56 17:25:00 -559.045725 0.0111 BFGS: 57 17:25:00 -559.045849 0.0108 BFGS: 58 17:25:00 -559.045952 0.0093 BFGS: 59 17:25:00 -559.046021 0.0075 BFGS: 60 17:25:00 -559.046070 0.0072 BFGS: 61 17:25:00 -559.046108 0.0076 BFGS: 62 17:25:00 -559.046141 0.0078 BFGS: 63 17:25:00 -559.046176 0.0069 BFGS: 64 17:25:00 -559.046216 0.0049 BFGS: 65 17:25:00 -559.046257 0.0052 BFGS: 66 17:25:00 -559.046293 0.0063 BFGS: 67 17:25:00 -559.046325 0.0066 BFGS: 68 17:25:00 -559.046357 0.0055 BFGS: 69 17:25:00 -559.046387 0.0033 BFGS: 70 17:25:01 -559.046405 0.0020 BFGS: 71 17:25:01 -559.046412 0.0014 BFGS: 72 17:25:01 -559.046414 0.0010 BFGS: 73 17:25:01 -559.046416 0.0005 BFGS: 74 17:25:01 -559.046416 0.0003 BFGS: 75 17:25:01 -559.046416 0.0003 BFGS: 76 17:25:01 -559.046416 0.0002 BFGS: 77 17:25:01 -559.046416 0.0001 BFGS: 78 17:25:01 -559.046416 0.0001 BFGS: 79 17:25:01 -559.046416 0.0001 BFGS: 80 17:25:01 -559.046416 0.0001 BFGS: 81 17:25:01 -559.046416 0.0001 BFGS: 82 17:25:01 -559.046416 0.0001 BFGS: 83 17:25:01 -559.046416 0.0001 BFGS: 84 17:25:01 -559.046416 0.0001 BFGS: 85 17:25:01 -559.046416 0.0001 BFGS: 86 17:25:01 -559.046416 0.0001 BFGS: 87 17:25:01 -559.046416 0.0000 BFGS: 88 17:25:02 -559.046416 0.0000 BFGS: 89 17:25:02 -559.046416 0.0000 BFGS: 90 17:25:02 -559.046416 0.0000 BFGS: 91 17:25:02 -559.046416 0.0000 BFGS: 92 17:25:02 -559.046416 0.0000 BFGS: 93 17:25:02 -559.046416 0.0000 BFGS: 94 17:25:02 -559.046416 0.0000 BFGS: 95 17:25:02 -559.046416 0.0000 BFGS: 96 17:25:02 -559.046416 0.0000 BFGS: 97 17:25:02 -559.046416 0.0000 BFGS: 98 17:25:02 -559.046416 0.0000 BFGS: 99 17:25:02 -559.046416 0.0000 BFGS: 100 17:25:02 -559.046416 0.0000 BFGS: 101 17:25:02 -559.046416 0.0000 BFGS: 102 17:25:02 -559.046416 0.0000 BFGS: 103 17:25:02 -559.046416 0.0000 BFGS: 104 17:25:02 -559.046416 0.0000 BFGS: 105 17:25:02 -559.046416 0.0000 Minimization converged after 105 steps. Maximum force component: 8.460966735828608e-09 eV/Angstrom Maximum stress component: 3.812280692294677e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', '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', '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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.76761621e-35 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 1.88785272e-01 9.43428806e-01] [1.03996651e-32 8.11214728e-01 9.43428806e-01] [3.11214728e-01 5.00000000e-01 4.43428806e-01] [6.88785272e-01 5.00000000e-01 4.43428806e-01] [5.00000000e-01 6.88785272e-01 5.56571194e-01] [5.00000000e-01 3.11214728e-01 5.56571194e-01] [1.88785272e-01 0.00000000e+00 5.65711941e-02] [8.11214728e-01 7.71770017e-33 5.65711941e-02] [4.13568206e-33 1.24884067e-01 8.49249681e-01] [1.49673901e-33 8.75115933e-01 8.49249681e-01] [3.75115933e-01 5.00000000e-01 3.49249681e-01] [6.24884067e-01 5.00000000e-01 3.49249681e-01] [5.00000000e-01 6.24884067e-01 6.50750319e-01] [5.00000000e-01 3.75115933e-01 6.50750319e-01] [1.24884067e-01 5.18324554e-33 1.50750319e-01] [8.75115933e-01 0.00000000e+00 1.50750319e-01] [5.35940294e-34 3.80695904e-01 5.23799904e-01] [0.00000000e+00 6.19304096e-01 5.23799904e-01] [1.19304096e-01 5.00000000e-01 2.37999039e-02] [8.80695904e-01 5.00000000e-01 2.37999039e-02] [5.00000000e-01 8.80695904e-01 9.76200096e-01] [5.00000000e-01 1.19304096e-01 9.76200096e-01] [3.80695904e-01 0.00000000e+00 4.76200096e-01] [6.19304096e-01 3.04896797e-33 4.76200096e-01] [9.26648493e-33 2.39922780e-01 6.02641535e-01] [0.00000000e+00 7.60077220e-01 6.02641535e-01] [2.60077220e-01 5.00000000e-01 1.02641535e-01] [7.39922780e-01 5.00000000e-01 1.02641535e-01] [5.00000000e-01 7.39922780e-01 8.97358465e-01] [5.00000000e-01 2.60077220e-01 8.97358465e-01] [2.39922780e-01 3.04896797e-34 3.97358465e-01] [7.60077220e-01 0.00000000e+00 3.97358465e-01] [1.48376939e-33 3.81024236e-01 6.77321867e-01] [0.00000000e+00 6.18975764e-01 6.77321867e-01] [1.18975764e-01 5.00000000e-01 1.77321867e-01] [8.81024236e-01 5.00000000e-01 1.77321867e-01] [5.00000000e-01 8.81024236e-01 8.22678133e-01] [5.00000000e-01 1.18975764e-01 8.22678133e-01] [3.81024236e-01 1.52448398e-33 3.22678133e-01] [6.18975764e-01 0.00000000e+00 3.22678133e-01] [1.82980343e-01 3.13554644e-01 4.69759567e-01] [8.17019657e-01 6.86445356e-01 4.69759567e-01] [1.86445356e-01 6.82980343e-01 9.69759567e-01] [8.13554644e-01 3.17019657e-01 9.69759567e-01] [3.17019657e-01 8.13554644e-01 3.02404334e-02] [6.82980343e-01 1.86445356e-01 3.02404334e-02] [3.13554644e-01 1.82980343e-01 5.30240433e-01] [6.86445356e-01 8.17019657e-01 5.30240433e-01] [3.17019657e-01 1.86445356e-01 3.02404334e-02] [6.82980343e-01 8.13554644e-01 3.02404334e-02] [3.13554644e-01 8.17019657e-01 5.30240433e-01] [6.86445356e-01 1.82980343e-01 5.30240433e-01] [1.82980343e-01 6.86445356e-01 4.69759567e-01] [8.17019657e-01 3.13554644e-01 4.69759567e-01] [1.86445356e-01 3.17019657e-01 9.69759567e-01] [8.13554644e-01 6.82980343e-01 9.69759567e-01] [2.02383497e-01 1.20539721e-01 6.12270243e-01] [7.97616503e-01 8.79460279e-01 6.12270243e-01] [3.79460279e-01 7.02383497e-01 1.12270243e-01] [6.20539721e-01 2.97616503e-01 1.12270243e-01] [2.97616503e-01 6.20539721e-01 8.87729757e-01] [7.02383497e-01 3.79460279e-01 8.87729757e-01] [1.20539721e-01 2.02383497e-01 3.87729757e-01] [8.79460279e-01 7.97616503e-01 3.87729757e-01] [2.97616503e-01 3.79460279e-01 8.87729757e-01] [7.02383497e-01 6.20539721e-01 8.87729757e-01] [1.20539721e-01 7.97616503e-01 3.87729757e-01] [8.79460279e-01 2.02383497e-01 3.87729757e-01] [2.02383497e-01 8.79460279e-01 6.12270243e-01] [7.97616503e-01 1.20539721e-01 6.12270243e-01] [3.79460279e-01 2.97616503e-01 1.12270243e-01] [6.20539721e-01 7.02383497e-01 1.12270243e-01] [3.17161840e-01 2.43545910e-01 6.81483024e-01] [6.82838160e-01 7.56454090e-01 6.81483024e-01] [2.56454090e-01 8.17161840e-01 1.81483024e-01] [7.43545910e-01 1.82838160e-01 1.81483024e-01] [1.82838160e-01 7.43545910e-01 8.18516976e-01] [8.17161840e-01 2.56454090e-01 8.18516976e-01] [2.43545910e-01 3.17161840e-01 3.18516976e-01] [7.56454090e-01 6.82838160e-01 3.18516976e-01] [1.82838160e-01 2.56454090e-01 8.18516976e-01] [8.17161840e-01 7.43545910e-01 8.18516976e-01] [2.43545910e-01 6.82838160e-01 3.18516976e-01] [7.56454090e-01 3.17161840e-01 3.18516976e-01] [3.17161840e-01 7.56454090e-01 6.81483024e-01] [6.82838160e-01 2.43545910e-01 6.81483024e-01] [2.56454090e-01 1.82838160e-01 1.81483024e-01] [7.43545910e-01 8.17161840e-01 1.81483024e-01] [1.81610339e-01 3.82506901e-01 7.36042105e-01] [8.18389661e-01 6.17493099e-01 7.36042105e-01] [1.17493099e-01 6.81610339e-01 2.36042105e-01] [8.82506901e-01 3.18389661e-01 2.36042105e-01] [3.18389661e-01 8.82506901e-01 7.63957895e-01] [6.81610339e-01 1.17493099e-01 7.63957895e-01] [3.82506901e-01 1.81610339e-01 2.63957895e-01] [6.17493099e-01 8.18389661e-01 2.63957895e-01] [3.18389661e-01 1.17493099e-01 7.63957895e-01] [6.81610339e-01 8.82506901e-01 7.63957895e-01] [3.82506901e-01 8.18389661e-01 2.63957895e-01] [6.17493099e-01 1.81610339e-01 2.63957895e-01] [1.81610339e-01 6.17493099e-01 7.36042105e-01] [8.18389661e-01 3.82506901e-01 7.36042105e-01] [1.17493099e-01 3.18389661e-01 2.36042105e-01] [8.82506901e-01 6.81610339e-01 2.36042105e-01]] cellpar = Cell([[10.106658856998147, -7.412321036405309e-37, -8.519831240226552e-39], [5.51757535628746e-37, 10.106658856998143, 6.611796916848989e-18], [-3.083452310356362e-37, 1.544479222589959e-17, 24.50446053404658]]) forces = [[-1.24574188e-31 -1.90371762e-49 -3.02040796e-31] [ 2.49148377e-31 3.80743524e-49 6.04081591e-31] [-3.96904685e-46 -8.46096674e-09 -5.16630629e-09] [ 5.26922313e-46 8.46096674e-09 -5.16630629e-09] [ 8.46096674e-09 -3.25624501e-27 -5.16630629e-09] [-8.46096674e-09 -3.25615158e-27 -5.16630629e-09] [-5.26922313e-46 -8.46096674e-09 5.16630629e-09] [ 3.96904685e-46 8.46096674e-09 5.16630629e-09] [-8.46096674e-09 3.25630729e-27 5.16630629e-09] [ 8.46096674e-09 3.25624501e-27 5.16630629e-09] [-1.24574188e-31 9.65065158e-10 6.72456688e-09] [-1.24574188e-31 -9.65065158e-10 6.72456688e-09] [-9.65065158e-10 4.23851775e-27 6.72456688e-09] [ 9.65065158e-10 4.23826860e-27 6.72456688e-09] [ 9.34306413e-32 9.65065158e-10 -6.72456688e-09] [ 1.63503622e-31 -9.65065158e-10 -6.72456688e-09] [ 9.65065158e-10 -4.23839318e-27 -6.72456688e-09] [-9.65065158e-10 -4.23814403e-27 -6.72456688e-09] [-1.26948324e-46 -1.23650226e-09 4.72401649e-09] [-3.73722565e-31 1.23650226e-09 4.72401649e-09] [ 1.23650226e-09 2.97772556e-27 4.72401649e-09] [-1.23650226e-09 2.97735184e-27 4.72401649e-09] [-4.98296753e-31 -1.23650226e-09 -4.72401649e-09] [ 2.49148377e-31 1.23650226e-09 -4.72401649e-09] [-1.23650226e-09 -2.97747641e-27 -4.72401649e-09] [ 1.23650226e-09 -2.97747641e-27 -4.72401649e-09] [-3.11435471e-31 2.64078041e-09 -5.41203394e-10] [-3.73722565e-31 -2.64078041e-09 -5.41203394e-10] [-2.64078041e-09 -3.41236918e-28 -5.41203394e-10] [ 2.64078041e-09 -3.40738622e-28 -5.41203394e-10] [ 2.49148377e-31 2.64078041e-09 5.41203394e-10] [ 4.98296753e-31 -2.64078041e-09 5.41203394e-10] [ 2.64078041e-09 3.41112344e-28 5.41203394e-10] [-2.64078041e-09 3.40863196e-28 5.41203394e-10] [ 4.98296753e-31 -4.97031277e-09 1.78431743e-09] [ 1.24574188e-31 4.97031277e-09 1.78431743e-09] [ 4.97031277e-09 1.12462839e-27 1.78431743e-09] [-4.97031277e-09 1.12437924e-27 1.78431743e-09] [ 2.49148377e-31 -4.97031277e-09 -1.78431743e-09] [-2.49148377e-31 4.97031277e-09 -1.78431743e-09] [-4.97031277e-09 -1.12437924e-27 -1.78431743e-09] [ 4.97031277e-09 -1.12462839e-27 -1.78431743e-09] [-9.18057393e-10 1.69325679e-09 2.57394939e-11] [ 9.18057393e-10 -1.69325679e-09 2.57394939e-11] [-1.69325679e-09 -9.18057393e-10 2.57394939e-11] [ 1.69325679e-09 9.18057393e-10 2.57394939e-11] [ 9.18057393e-10 1.69325679e-09 -2.57394939e-11] [-9.18057393e-10 -1.69325679e-09 -2.57394939e-11] [ 1.69325679e-09 -9.18057393e-10 -2.57394939e-11] [-1.69325679e-09 9.18057393e-10 -2.57394939e-11] [ 9.18057393e-10 -1.69325679e-09 -2.57394939e-11] [-9.18057393e-10 1.69325679e-09 -2.57394939e-11] [ 1.69325679e-09 9.18057393e-10 -2.57394939e-11] [-1.69325679e-09 -9.18057393e-10 -2.57394939e-11] [-9.18057393e-10 -1.69325679e-09 2.57394939e-11] [ 9.18057393e-10 1.69325679e-09 2.57394939e-11] [-1.69325679e-09 9.18057393e-10 2.57394939e-11] [ 1.69325679e-09 -9.18057393e-10 2.57394939e-11] [-1.04676363e-09 1.79191394e-09 3.68614992e-09] [ 1.04676363e-09 -1.79191394e-09 3.68614992e-09] [-1.79191394e-09 -1.04676363e-09 3.68614992e-09] [ 1.79191394e-09 1.04676363e-09 3.68614992e-09] [ 1.04676363e-09 1.79191394e-09 -3.68614992e-09] [-1.04676363e-09 -1.79191394e-09 -3.68614992e-09] [ 1.79191394e-09 -1.04676363e-09 -3.68614992e-09] [-1.79191394e-09 1.04676363e-09 -3.68614992e-09] [ 1.04676363e-09 -1.79191394e-09 -3.68614992e-09] [-1.04676363e-09 1.79191394e-09 -3.68614992e-09] [ 1.79191394e-09 1.04676363e-09 -3.68614992e-09] [-1.79191394e-09 -1.04676363e-09 -3.68614992e-09] [-1.04676363e-09 -1.79191394e-09 3.68614992e-09] [ 1.04676363e-09 1.79191394e-09 3.68614992e-09] [-1.79191394e-09 1.04676363e-09 3.68614992e-09] [ 1.79191394e-09 -1.04676363e-09 3.68614992e-09] [-2.41660951e-09 -4.43107890e-11 -3.07781627e-10] [ 2.41660951e-09 4.43107890e-11 -3.07781627e-10] [ 4.43107890e-11 -2.41660951e-09 -3.07781627e-10] [-4.43107890e-11 2.41660951e-09 -3.07781627e-10] [ 2.41660951e-09 -4.43107890e-11 3.07781627e-10] [-2.41660951e-09 4.43107890e-11 3.07781627e-10] [-4.43107890e-11 -2.41660951e-09 3.07781627e-10] [ 4.43107890e-11 2.41660951e-09 3.07781627e-10] [ 2.41660951e-09 4.43107890e-11 3.07781627e-10] [-2.41660951e-09 -4.43107890e-11 3.07781627e-10] [-4.43107890e-11 2.41660951e-09 3.07781627e-10] [ 4.43107890e-11 -2.41660951e-09 3.07781627e-10] [-2.41660951e-09 4.43107890e-11 -3.07781627e-10] [ 2.41660951e-09 -4.43107890e-11 -3.07781627e-10] [ 4.43107890e-11 2.41660951e-09 -3.07781627e-10] [-4.43107890e-11 -2.41660951e-09 -3.07781627e-10] [-1.50922504e-09 -1.39362632e-09 -3.26364037e-09] [ 1.50922504e-09 1.39362632e-09 -3.26364037e-09] [ 1.39362632e-09 -1.50922504e-09 -3.26364037e-09] [-1.39362632e-09 1.50922504e-09 -3.26364037e-09] [ 1.50922504e-09 -1.39362632e-09 3.26364037e-09] [-1.50922504e-09 1.39362632e-09 3.26364037e-09] [-1.39362632e-09 -1.50922504e-09 3.26364037e-09] [ 1.39362632e-09 1.50922504e-09 3.26364037e-09] [ 1.50922504e-09 1.39362632e-09 3.26364037e-09] [-1.50922504e-09 -1.39362632e-09 3.26364037e-09] [-1.39362632e-09 1.50922504e-09 3.26364037e-09] [ 1.39362632e-09 -1.50922504e-09 3.26364037e-09] [-1.50922504e-09 1.39362632e-09 -3.26364037e-09] [ 1.50922504e-09 -1.39362632e-09 -3.26364037e-09] [ 1.39362632e-09 1.50922504e-09 -3.26364037e-09] [-1.39362632e-09 -1.50922504e-09 -3.26364037e-09]] stress = [-1.35360256e-11 -1.35360256e-11 3.81228069e-11 -2.71919424e-26 -1.99080030e-34 1.41998270e-49] energy per atom = -2.1107779515129974 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0