element(s): ['Si'] AFLOW prototype label: A_oF16_69_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474'] model name: MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si'] representative atom coordinates = [[0. 0.27623302 0. ] [0.22815526 0. 0. ]] spacegroup = 69 cell = [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]] ========================================= Step Time Energy fmax BFGS: 0 15:39:15 -66.885587 1.516224 BFGS: 1 15:39:15 -66.960563 1.483989 BFGS: 2 15:39:15 -67.119294 1.394825 BFGS: 3 15:39:15 -67.258025 1.284294 BFGS: 4 15:39:15 -67.375418 1.153914 BFGS: 5 15:39:15 -67.470532 1.006175 BFGS: 6 15:39:15 -67.543637 0.862065 BFGS: 7 15:39:15 -67.602340 0.809036 BFGS: 8 15:39:15 -67.659672 0.856539 BFGS: 9 15:39:15 -67.726817 0.996112 BFGS: 10 15:39:16 -67.814242 1.222582 BFGS: 11 15:39:16 -67.931606 1.531111 BFGS: 12 15:39:16 -68.088761 1.919477 BFGS: 13 15:39:16 -68.296925 2.388414 BFGS: 14 15:39:16 -68.567777 2.884191 BFGS: 15 15:39:16 -68.889547 3.050295 BFGS: 16 15:39:16 -69.206855 2.744721 BFGS: 17 15:39:16 -69.465257 2.041528 BFGS: 18 15:39:16 -69.637731 0.977277 BFGS: 19 15:39:16 -69.741258 1.051802 BFGS: 20 15:39:16 -69.841742 1.377814 BFGS: 21 15:39:17 -69.951674 1.034850 BFGS: 22 15:39:17 -69.974801 0.532007 BFGS: 23 15:39:17 -69.990985 0.592985 BFGS: 24 15:39:17 -70.002275 0.723367 BFGS: 25 15:39:17 -70.030861 0.992675 BFGS: 26 15:39:17 -70.056416 1.378991 BFGS: 27 15:39:17 -70.070525 1.324857 BFGS: 28 15:39:17 -70.109947 1.152223 BFGS: 29 15:39:18 -70.134842 0.423113 BFGS: 30 15:39:18 -70.138121 0.252953 BFGS: 31 15:39:18 -70.143713 0.354168 BFGS: 32 15:39:18 -70.155303 0.475358 BFGS: 33 15:39:18 -70.165723 0.383757 BFGS: 34 15:39:18 -70.170839 0.147765 BFGS: 35 15:39:18 -70.171496 0.048969 BFGS: 36 15:39:18 -70.171577 0.020539 BFGS: 37 15:39:18 -70.171615 0.016560 BFGS: 38 15:39:18 -70.171718 0.025194 BFGS: 39 15:39:19 -70.171782 0.020708 BFGS: 40 15:39:19 -70.171805 0.006570 BFGS: 41 15:39:19 -70.171807 0.000751 BFGS: 42 15:39:19 -70.171808 0.000026 BFGS: 43 15:39:19 -70.171808 0.000004 BFGS: 44 15:39:19 -70.171808 0.000000 BFGS: 45 15:39:19 -70.171808 0.000000 Minimization converged after 45 steps. Maximum force component: 1.1718142648711395e-09 eV/Angstrom Maximum stress component: 3.3021004690208955e-10 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'] basis = [[0.00000000e+00 2.55454765e-01 2.03276856e-34] [0.00000000e+00 7.44545235e-01 1.09769502e-33] [0.00000000e+00 7.55454765e-01 5.00000000e-01] [0.00000000e+00 2.44545235e-01 5.00000000e-01] [5.00000000e-01 2.55454765e-01 5.00000000e-01] [5.00000000e-01 7.44545235e-01 5.00000000e-01] [5.00000000e-01 7.55454765e-01 2.03276856e-34] [5.00000000e-01 2.44545235e-01 0.00000000e+00] [2.64778876e-01 1.00000000e+00 0.00000000e+00] [7.35221124e-01 1.00000000e+00 1.81613875e-36] [2.64778876e-01 5.00000000e-01 5.00000000e-01] [7.35221124e-01 5.00000000e-01 5.00000000e-01] [7.64778876e-01 1.00000000e+00 5.00000000e-01] [2.35221124e-01 1.00000000e+00 5.00000000e-01] [7.64778876e-01 5.00000000e-01 4.06553712e-35] [2.35221124e-01 5.00000000e-01 4.06553712e-35]] cellpar = Cell([[5.101076867062605, 9.857462686518295e-56, 2.3412552232794648e-37], [1.08860460062624e-55, 8.813279496511326, -1.248422251661593e-18], [-4.756045847891115e-37, -5.649897777398877e-19, 4.7372091034987]]) forces = [[ 6.81930147e-66 5.52116341e-10 -7.82049591e-29] [-6.81930147e-66 -5.52116341e-10 7.82049591e-29] [ 6.81966786e-66 5.52116341e-10 -7.82086085e-29] [-6.81966786e-66 -5.52116341e-10 7.82086085e-29] [ 6.81966786e-66 5.52116341e-10 -7.82086085e-29] [-6.81966786e-66 -5.52116341e-10 7.82086085e-29] [ 6.81966786e-66 5.52116341e-10 -7.82086085e-29] [-6.81966786e-66 -5.52116341e-10 7.82086085e-29] [ 1.17181426e-09 2.26444645e-65 5.37830803e-47] [-1.17181426e-09 -1.74100917e-51 1.45976526e-32] [ 1.17181426e-09 2.26444645e-65 5.37830803e-47] [-1.17181426e-09 -8.70504585e-52 7.29882629e-33] [ 1.17181426e-09 1.74100917e-51 -1.45976526e-32] [-1.17181426e-09 -1.90422878e-51 1.59661825e-32] [ 1.17181426e-09 1.74100917e-51 -1.45976526e-32] [-1.17181426e-09 -1.74100917e-51 1.45976526e-32]] stress = [-3.30210047e-10 -2.25301058e-10 -1.33473817e-10 -1.57510194e-90 1.27519337e-34 -4.22834652e-66] energy per atom = -4.385737969082678 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0