element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 16:39:58 -549.325617 0.7782 BFGS: 1 16:39:59 -549.690555 0.7999 BFGS: 2 16:40:00 -551.326000 0.9611 BFGS: 3 16:40:01 -553.157841 1.2248 BFGS: 4 16:40:01 -555.320204 1.4312 BFGS: 5 16:40:02 -557.669546 1.4788 BFGS: 6 16:40:03 -559.875646 1.2556 BFGS: 7 16:40:04 -561.653625 0.9733 BFGS: 8 16:40:04 -562.723689 0.5257 BFGS: 9 16:40:05 -562.906934 0.4685 BFGS: 10 16:40:06 -562.948313 0.4671 BFGS: 11 16:40:06 -563.073077 0.4321 BFGS: 12 16:40:07 -563.090612 0.4159 BFGS: 13 16:40:09 -563.122039 0.3832 BFGS: 14 16:40:10 -563.159600 0.3539 BFGS: 15 16:40:10 -563.201207 0.3341 BFGS: 16 16:40:11 -563.244451 0.3121 BFGS: 17 16:40:12 -563.289763 0.2907 BFGS: 18 16:40:12 -563.336067 0.2710 BFGS: 19 16:40:13 -563.382064 0.2518 BFGS: 20 16:40:13 -563.427536 0.2354 BFGS: 21 16:40:14 -563.471443 0.2188 BFGS: 22 16:40:14 -563.514169 0.2019 BFGS: 23 16:40:15 -563.554969 0.1808 BFGS: 24 16:40:15 -563.595799 0.1722 BFGS: 25 16:40:16 -563.632763 0.1564 BFGS: 26 16:40:17 -563.668054 0.1407 BFGS: 27 16:40:18 -563.701439 0.1268 BFGS: 28 16:40:19 -563.732408 0.1136 BFGS: 29 16:40:19 -563.760723 0.0987 BFGS: 30 16:40:21 -563.786546 0.0848 BFGS: 31 16:40:22 -563.809568 0.0762 BFGS: 32 16:40:22 -563.829431 0.0667 BFGS: 33 16:40:24 -563.846055 0.0564 BFGS: 34 16:40:25 -563.859313 0.0450 BFGS: 35 16:40:26 -563.868954 0.0321 BFGS: 36 16:40:27 -563.874244 0.0172 BFGS: 37 16:40:28 -563.875237 0.0074 BFGS: 38 16:40:29 -563.875345 0.0051 BFGS: 39 16:40:30 -563.875456 0.0022 BFGS: 40 16:40:31 -563.875473 0.0018 BFGS: 41 16:40:33 -563.875478 0.0008 BFGS: 42 16:40:34 -563.875479 0.0002 BFGS: 43 16:40:35 -563.875479 0.0000 BFGS: 44 16:40:36 -563.875479 0.0000 BFGS: 45 16:40:37 -563.875479 0.0000 BFGS: 46 16:40:38 -563.875479 0.0000 BFGS: 47 16:40:39 -563.875479 0.0000 Minimization converged after 47 steps. Maximum force component: 4.5918329106998385e-10 eV/Angstrom Maximum stress component: 1.4814888651010512e-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', '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 = [[1.14073221e-33 1.47316303e-33 0.00000000e+00] [8.00815769e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.04381290e-01 9.04381290e-01 9.04381290e-01] [9.56187103e-02 5.95618710e-01 4.04381290e-01] [5.95618710e-01 4.04381290e-01 9.56187103e-02] [4.04381290e-01 9.56187103e-02 5.95618710e-01] [6.54381290e-01 1.54381290e-01 8.45618710e-01] [3.45618710e-01 3.45618710e-01 3.45618710e-01] [1.54381290e-01 8.45618710e-01 6.54381290e-01] [8.45618710e-01 6.54381290e-01 1.54381290e-01] [1.54381290e-01 6.54381290e-01 8.45618710e-01] [6.54381290e-01 8.45618710e-01 1.54381290e-01] [8.45618710e-01 1.54381290e-01 6.54381290e-01] [5.95618710e-01 9.56187103e-02 4.04381290e-01] [9.56187103e-02 4.04381290e-01 5.95618710e-01] [4.04381290e-01 5.95618710e-01 9.56187103e-02] [9.04381290e-01 4.04381290e-01 4.04381290e-01] [9.56187103e-02 9.56187103e-02 9.04381290e-01] [5.95618710e-01 9.04381290e-01 5.95618710e-01] [6.54381290e-01 6.54381290e-01 3.45618710e-01] [3.45618710e-01 8.45618710e-01 8.45618710e-01] [1.54381290e-01 3.45618710e-01 1.54381290e-01] [1.54381290e-01 1.54381290e-01 3.45618710e-01] [6.54381290e-01 3.45618710e-01 6.54381290e-01] [5.95618710e-01 5.95618710e-01 9.04381290e-01] [9.56187103e-02 9.04381290e-01 9.56187103e-02] [4.04381290e-01 9.04381290e-01 4.04381290e-01] [9.04381290e-01 9.56187103e-02 9.56187103e-02] [8.45618710e-01 3.45618710e-01 8.45618710e-01] [3.45618710e-01 6.54381290e-01 6.54381290e-01] [3.45618710e-01 1.54381290e-01 1.54381290e-01] [9.04381290e-01 5.95618710e-01 5.95618710e-01] [4.04381290e-01 4.04381290e-01 9.04381290e-01] [8.45618710e-01 8.45618710e-01 3.45618710e-01] [4.40078332e-01 4.40078332e-01 2.56684760e-01] [5.59921668e-01 5.99216676e-02 7.56684760e-01] [5.99216676e-02 9.40078332e-01 7.43315240e-01] [9.40078332e-01 5.59921668e-01 2.43315240e-01] [2.56684760e-01 4.40078332e-01 4.40078332e-01] [7.56684760e-01 5.59921668e-01 5.99216676e-02] [7.43315240e-01 5.99216676e-02 9.40078332e-01] [2.43315240e-01 9.40078332e-01 5.59921668e-01] [4.40078332e-01 2.56684760e-01 4.40078332e-01] [5.99216676e-02 7.56684760e-01 5.59921668e-01] [9.40078332e-01 7.43315240e-01 5.99216676e-02] [5.59921668e-01 2.43315240e-01 9.40078332e-01] [1.90078332e-01 6.90078332e-01 4.93315240e-01] [8.09921668e-01 8.09921668e-01 9.93315240e-01] [6.90078332e-01 3.09921668e-01 6.68475959e-03] [3.09921668e-01 1.90078332e-01 5.06684760e-01] [1.90078332e-01 5.06684760e-01 3.09921668e-01] [3.09921668e-01 6.68475959e-03 6.90078332e-01] [8.09921668e-01 9.93315240e-01 8.09921668e-01] [6.90078332e-01 4.93315240e-01 1.90078332e-01] [6.68475959e-03 6.90078332e-01 3.09921668e-01] [5.06684760e-01 3.09921668e-01 1.90078332e-01] [4.93315240e-01 1.90078332e-01 6.90078332e-01] [9.93315240e-01 8.09921668e-01 8.09921668e-01] [6.90078332e-01 1.90078332e-01 4.93315240e-01] [1.90078332e-01 3.09921668e-01 5.06684760e-01] [3.09921668e-01 6.90078332e-01 6.68475959e-03] [4.93315240e-01 6.90078332e-01 1.90078332e-01] [5.06684760e-01 1.90078332e-01 3.09921668e-01] [6.68475959e-03 3.09921668e-01 6.90078332e-01] [1.90078332e-01 4.93315240e-01 6.90078332e-01] [3.09921668e-01 5.06684760e-01 1.90078332e-01] [6.90078332e-01 6.68475959e-03 3.09921668e-01] [5.99216676e-02 5.59921668e-01 7.56684760e-01] [5.59921668e-01 9.40078332e-01 2.43315240e-01] [9.40078332e-01 5.99216676e-02 7.43315240e-01] [5.99216676e-02 7.43315240e-01 9.40078332e-01] [9.40078332e-01 2.43315240e-01 5.59921668e-01] [5.59921668e-01 7.56684760e-01 5.99216676e-02] [2.43315240e-01 5.59921668e-01 9.40078332e-01] [7.43315240e-01 9.40078332e-01 5.99216676e-02] [7.56684760e-01 5.99216676e-02 5.59921668e-01] [4.40078332e-01 9.40078332e-01 7.56684760e-01] [5.59921668e-01 5.59921668e-01 2.56684760e-01] [5.99216676e-02 4.40078332e-01 2.43315240e-01] [2.56684760e-01 9.40078332e-01 9.40078332e-01] [7.43315240e-01 5.59921668e-01 4.40078332e-01] [2.43315240e-01 4.40078332e-01 5.99216676e-02] [4.40078332e-01 7.56684760e-01 9.40078332e-01] [5.99216676e-02 2.56684760e-01 5.99216676e-02] [5.59921668e-01 7.43315240e-01 4.40078332e-01] [1.90078332e-01 1.90078332e-01 9.93315240e-01] [8.09921668e-01 3.09921668e-01 4.93315240e-01] [6.90078332e-01 8.09921668e-01 5.06684760e-01] [1.90078332e-01 6.68475959e-03 8.09921668e-01] [8.09921668e-01 4.93315240e-01 3.09921668e-01] [6.90078332e-01 9.93315240e-01 6.90078332e-01] [6.68475959e-03 1.90078332e-01 8.09921668e-01] [5.06684760e-01 8.09921668e-01 6.90078332e-01] [9.93315240e-01 3.09921668e-01 3.09921668e-01] [6.90078332e-01 6.90078332e-01 9.93315240e-01] [1.90078332e-01 8.09921668e-01 6.68475959e-03] [5.06684760e-01 6.90078332e-01 8.09921668e-01] [6.68475959e-03 8.09921668e-01 1.90078332e-01] [1.90078332e-01 9.93315240e-01 1.90078332e-01] [6.90078332e-01 5.06684760e-01 8.09921668e-01] [5.99216676e-02 5.99216676e-02 2.56684760e-01] [5.59921668e-01 4.40078332e-01 7.43315240e-01] [5.99216676e-02 2.43315240e-01 4.40078332e-01] [5.59921668e-01 2.56684760e-01 5.59921668e-01] [2.43315240e-01 5.99216676e-02 4.40078332e-01] [7.43315240e-01 4.40078332e-01 5.59921668e-01] [9.40078332e-01 4.40078332e-01 7.56684760e-01] [4.40078332e-01 5.59921668e-01 7.43315240e-01] [7.56684760e-01 4.40078332e-01 9.40078332e-01] [2.56684760e-01 5.59921668e-01 5.59921668e-01] [9.40078332e-01 2.56684760e-01 9.40078332e-01] [4.40078332e-01 7.43315240e-01 5.59921668e-01] [3.09921668e-01 8.09921668e-01 4.93315240e-01] [8.09921668e-01 1.90078332e-01 6.68475959e-03] [8.09921668e-01 6.68475959e-03 1.90078332e-01] [3.09921668e-01 9.93315240e-01 3.09921668e-01] [9.93315240e-01 1.90078332e-01 1.90078332e-01] [4.93315240e-01 8.09921668e-01 3.09921668e-01] [8.09921668e-01 6.90078332e-01 5.06684760e-01] [9.93315240e-01 6.90078332e-01 6.90078332e-01] [8.09921668e-01 5.06684760e-01 6.90078332e-01] [4.40078332e-01 5.99216676e-02 2.43315240e-01] [4.40078332e-01 2.43315240e-01 5.99216676e-02] [2.56684760e-01 5.99216676e-02 5.99216676e-02] [9.40078332e-01 9.40078332e-01 2.56684760e-01] [7.56684760e-01 9.40078332e-01 4.40078332e-01] [9.40078332e-01 7.56684760e-01 4.40078332e-01] [3.09921668e-01 3.09921668e-01 9.93315240e-01] [3.09921668e-01 4.93315240e-01 8.09921668e-01] [4.93315240e-01 3.09921668e-01 8.09921668e-01]] cellpar = Cell([[14.574328986310867, 5.91656330244532e-33, -2.482507986068925e-32], [-3.2606610516305277e-32, 14.574328986310867, -1.4386364450873957e-17], [-5.953879038946282e-34, -1.4386364450873942e-17, 14.574328986310867]]) forces = [[ 2.69463711e-31 -1.49702062e-32 -3.89225361e-31] [-2.39523299e-31 8.98212372e-32 1.49702062e-32] [ 3.59284949e-31 1.19761650e-31 1.49702062e-31] [ 2.99404124e-32 -2.39523299e-31 -2.17067990e-31] [-1.94612681e-31 2.09582887e-31 -1.49702062e-31] [-1.79642474e-31 3.36829639e-32 -1.77771199e-31] [-2.99404124e-31 -2.39523299e-31 -2.54493505e-31] [-2.99404124e-32 -1.49702062e-31 -1.49702062e-32] [ 3.44809202e-10 3.44809202e-10 3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 -3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 -3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [-3.44809202e-10 3.44809202e-10 3.44809202e-10] [-3.44809202e-10 3.44809202e-10 3.44809202e-10] [ 3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [ 3.44809202e-10 3.44809202e-10 3.44809202e-10] [-3.44809202e-10 -3.44809202e-10 -3.44809202e-10] [ 4.59183291e-10 4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 6.76062638e-11] [-6.76062638e-11 4.59183291e-10 4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 -6.76062638e-11 4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 6.76062638e-11] [-4.59183291e-10 -4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 4.59183291e-10 -6.76062638e-11] [ 4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 4.59183291e-10] [-4.59183291e-10 6.76062638e-11 -4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 4.59183291e-10] [-6.76062638e-11 4.59183291e-10 -4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 4.59183291e-10 -6.76062638e-11] [ 6.76062638e-11 4.59183291e-10 4.59183291e-10] [-6.76062638e-11 4.59183291e-10 -4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 6.76062638e-11] [-4.59183291e-10 6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 4.59183291e-10 -4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 4.59183291e-10 6.76062638e-11] [-6.76062638e-11 4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 -6.76062638e-11 4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 6.76062638e-11] [-4.59183291e-10 -4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [ 4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 6.76062638e-11 -4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 4.59183291e-10] [-6.76062638e-11 4.59183291e-10 -4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-6.76062638e-11 4.59183291e-10 -4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 -4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 4.59183291e-10 6.76062638e-11] [-4.59183291e-10 6.76062638e-11 4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 -4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 -6.76062638e-11] [ 4.59183291e-10 -4.59183291e-10 6.76062638e-11] [-6.76062638e-11 4.59183291e-10 4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 -6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 6.76062638e-11 -4.59183291e-10] [-4.59183291e-10 -4.59183291e-10 6.76062638e-11] [-4.59183291e-10 4.59183291e-10 -6.76062638e-11] [-4.59183291e-10 -6.76062638e-11 4.59183291e-10] [-4.59183291e-10 6.76062638e-11 -4.59183291e-10] [ 6.76062638e-11 4.59183291e-10 4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [-4.59183291e-10 4.59183291e-10 -6.76062638e-11] [ 6.76062638e-11 4.59183291e-10 4.59183291e-10] [-4.59183291e-10 -6.76062638e-11 4.59183291e-10] [ 4.59183291e-10 -4.59183291e-10 6.76062638e-11] [ 4.59183291e-10 6.76062638e-11 -4.59183291e-10] [-6.76062638e-11 -4.59183291e-10 -4.59183291e-10] [ 4.59183291e-10 4.59183291e-10 -6.76062638e-11] [-6.76062638e-11 4.59183291e-10 4.59183291e-10] [ 4.59183291e-10 -6.76062638e-11 4.59183291e-10] [-4.59183291e-10 -4.59183291e-10 6.76062638e-11] [-4.59183291e-10 6.76062638e-11 -4.59183291e-10] [ 6.76062638e-11 -4.59183291e-10 -4.59183291e-10]] stress = [-1.48148887e-11 -1.48148887e-11 -1.48148887e-11 6.12655933e-27 -3.82077163e-60 6.63526657e-61] energy per atom = -4.1461432264437965 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0