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_DuLenoskyHennig_2011_Si__MO_883726743759_002 ==== 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 16:59:44 -62.460459 0.822743 BFGS: 1 16:59:44 -62.539641 0.759849 BFGS: 2 16:59:45 -62.803955 0.496519 BFGS: 3 16:59:45 -62.934618 0.479271 BFGS: 4 16:59:45 -62.951461 0.486101 BFGS: 5 16:59:45 -62.959430 0.486583 BFGS: 6 16:59:45 -62.992489 0.489884 BFGS: 7 16:59:45 -63.026813 0.497892 BFGS: 8 16:59:45 -63.069394 0.509910 BFGS: 9 16:59:45 -63.127850 0.643439 BFGS: 10 16:59:45 -63.208239 0.819546 BFGS: 11 16:59:45 -63.315297 1.015578 BFGS: 12 16:59:45 -63.453579 1.225227 BFGS: 13 16:59:45 -63.627136 1.442325 BFGS: 14 16:59:46 -63.819868 1.639325 BFGS: 15 16:59:46 -64.026797 1.807596 BFGS: 16 16:59:46 -64.244467 1.945439 BFGS: 17 16:59:46 -64.467352 1.979451 BFGS: 18 16:59:46 -64.688752 1.951374 BFGS: 19 16:59:46 -64.905856 1.885964 BFGS: 20 16:59:46 -65.114685 1.777706 BFGS: 21 16:59:46 -65.311000 1.621929 BFGS: 22 16:59:47 -65.490761 1.415611 BFGS: 23 16:59:47 -65.651022 1.160786 BFGS: 24 16:59:47 -65.791323 0.862641 BFGS: 25 16:59:47 -65.915327 0.735095 BFGS: 26 16:59:47 -66.033081 0.981990 BFGS: 27 16:59:47 -66.160819 1.178011 BFGS: 28 16:59:47 -66.309896 1.396105 BFGS: 29 16:59:47 -66.418466 1.815016 BFGS: 30 16:59:48 -66.526225 1.733907 BFGS: 31 16:59:48 -66.627059 1.426610 BFGS: 32 16:59:48 -66.696879 1.078999 BFGS: 33 16:59:48 -66.741626 0.744428 BFGS: 34 16:59:48 -66.767862 0.445735 BFGS: 35 16:59:48 -66.783819 0.440164 BFGS: 36 16:59:49 -66.797627 0.499508 BFGS: 37 16:59:49 -66.813741 0.464590 BFGS: 38 16:59:50 -66.830267 0.306978 BFGS: 39 16:59:50 -66.837068 0.116670 BFGS: 40 16:59:50 -66.838301 0.083175 BFGS: 41 16:59:50 -66.838872 0.101185 BFGS: 42 16:59:50 -66.839498 0.100789 BFGS: 43 16:59:51 -66.840223 0.080778 BFGS: 44 16:59:51 -66.840664 0.054518 BFGS: 45 16:59:51 -66.840946 0.051657 BFGS: 46 16:59:51 -66.841309 0.058796 BFGS: 47 16:59:51 -66.841910 0.060890 BFGS: 48 16:59:51 -66.842638 0.060803 BFGS: 49 16:59:51 -66.843094 0.031783 BFGS: 50 16:59:51 -66.843198 0.006316 BFGS: 51 16:59:51 -66.843205 0.000404 BFGS: 52 16:59:51 -66.843205 0.000051 BFGS: 53 16:59:51 -66.843205 0.000004 BFGS: 54 16:59:51 -66.843205 0.000000 BFGS: 55 16:59:51 -66.843205 0.000000 BFGS: 56 16:59:51 -66.843205 0.000000 Minimization converged after 56 steps. Maximum force component: 2.9868966929658263e-09 eV/Angstrom Maximum stress component: 3.8505010011942643e-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 = [[3.15371497e-36 2.50000000e-01 3.23807245e-34] [3.07097944e-37 7.50000000e-01 0.00000000e+00] [4.06494787e-36 7.50000000e-01 5.00000000e-01] [2.11588983e-37 2.50000000e-01 5.00000000e-01] [5.00000000e-01 2.50000000e-01 5.00000000e-01] [5.00000000e-01 7.50000000e-01 5.00000000e-01] [5.00000000e-01 7.50000000e-01 1.61903623e-33] [5.00000000e-01 2.50000000e-01 0.00000000e+00] [2.50000000e-01 1.00000000e+00 9.70662701e-39] [7.50000000e-01 1.00000000e+00 0.00000000e+00] [2.50000000e-01 5.00000000e-01 5.00000000e-01] [7.50000000e-01 5.00000000e-01 5.00000000e-01] [7.50000000e-01 1.00000000e+00 5.00000000e-01] [2.50000000e-01 1.00000000e+00 5.00000000e-01] [7.50000000e-01 5.00000000e-01 0.00000000e+00] [2.50000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.967707910551104, -3.006991242095454e-55, -1.5988290409496326e-38], [9.228835120665377e-54, 8.60432249932192, -1.6808150981878833e-17], [-4.322287274482382e-37, -8.636342462249474e-18, 4.758213344465371]]) forces = [[ 3.20368944e-63 2.98689669e-09 -5.83476626e-27] [-3.20369077e-63 -2.98689669e-09 5.83478092e-27] [ 3.20368946e-63 2.98689669e-09 -5.83476649e-27] [-3.20369010e-63 -2.98689669e-09 5.83477359e-27] [ 3.20368910e-63 2.98689669e-09 -5.83476259e-27] [-3.20369019e-63 -2.98689669e-09 5.83477450e-27] [ 3.20368927e-63 2.98689669e-09 -5.83476442e-27] [-3.20369010e-63 -2.98689669e-09 5.83477359e-27] [-2.47335894e-10 4.98989717e-51 -2.74919567e-33] [ 2.47335894e-10 3.32659811e-51 -1.83279711e-33] [-2.47335894e-10 1.49714291e-65 7.96036759e-49] [ 2.47335894e-10 -1.66329906e-51 9.16398556e-34] [-2.47335894e-10 2.07912382e-50 -1.14549820e-32] [ 2.47335894e-10 1.33063924e-50 -7.33118845e-33] [-2.47335894e-10 8.31649528e-51 -4.58199278e-33] [ 2.47335894e-10 -1.49714291e-65 -7.96036759e-49]] stress = [-3.85050100e-10 -2.41929913e-10 3.34925717e-10 -5.37192319e-26 5.21459395e-34 -3.65470953e-64] energy per atom = -4.177700327991127 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oF16_69_gh, while relaxed is A_hP1_191_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.