element(s): ['P'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.442'] model name: MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['P'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[2.442, 0, 0], [0, 2.442, 0], [0, 0, 2.442]] ========================================= Step Time Energy fmax BFGS: 0 16:37:07 -3.346464 0.423110 BFGS: 1 16:37:07 -3.352606 0.255808 BFGS: 2 16:37:07 -3.356351 0.017901 BFGS: 3 16:37:07 -3.356371 0.000842 BFGS: 4 16:37:07 -3.356371 0.000003 BFGS: 5 16:37:07 -3.356371 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.289207727625578e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['P'] basis = [[0. 0. 0.]] cellpar = Cell([[2.481111851396813, 6.621433320296045e-33, -2.6395504617577493e-33], [4.954830851196671e-33, 2.481111851396813, -1.0543276722046006e-19], [-1.9004387805977174e-33, -1.0543276722046333e-19, 2.481111851396813]]) forces = [[0. 0. 0.]] stress = [-3.28920773e-11 -3.28920773e-11 -3.28920773e-11 -2.77551693e-27 5.91376954e-38 3.67162531e-54] energy per atom = -3.356370827987397 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0