element(s): ['C', 'Si'] AFLOW prototype label: AB_cF8_216_a_c Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.3792'] model name: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.25 0.25 0.25]] spacegroup = 216 cell = [[4.3792, 0, 0], [0, 4.3792, 0], [0, 0, 4.3792]] ========================================= Step Time Energy fmax BFGS: 0 20:05:34 -2.719441 0.010339 BFGS: 1 20:05:34 -2.719445 0.010297 BFGS: 2 20:05:34 -2.720000 0.000219 BFGS: 3 20:05:34 -2.720000 0.000004 BFGS: 4 20:05:34 -2.720000 0.000000 Minimization converged after 4 steps. Maximum force component: 2.7226319592040385e-30 eV/Angstrom Maximum stress component: 1.8275611591997276e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 1.53653404e-63 2.44894656e-40] [3.15769563e-41 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01]] cellpar = Cell([[4.35959499446597, 1.3666626696257735e-32, -1.8502600384616063e-35], [-9.425319489092674e-34, 4.35959499446597, 4.916533794929159e-20], [-1.3961960895259815e-34, 4.9165337949291604e-20, 4.35959499446597]]) forces = [[ 1.07472314e-31 1.43296419e-31 1.43296419e-31] [ 1.43296419e-31 1.43296419e-31 1.43296419e-31] [ 1.43296419e-31 -1.43296419e-31 1.43296419e-31] [ 1.43296419e-31 1.43296419e-31 -1.43296419e-31] [-2.86592838e-31 -8.59778513e-31 4.29889257e-31] [-7.88130304e-31 -1.28966777e-30 5.73185676e-31] [ 4.29889257e-31 2.86592838e-31 -2.72263196e-30] [-1.43296419e-30 -2.86592838e-31 -2.00614986e-30]] stress = [1.82756116e-10 1.82756116e-10 1.82756116e-10 1.98377523e-28 1.20031234e-60 9.85550261e-60] energy per atom = -0.34000000000656655 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0