element(s): ['Si'] AFLOW prototype label: A_hP4_194_f Parameter names: ['a', 'c/a', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.8496', '1.6527431', '0.56294015'] model name: MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0.33333333 0.66666667 0.56294015]] spacegroup = 194 cell = [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]] ========================================= Step Time Energy fmax BFGS: 0 15:40:01 -18.447653 0.486710 BFGS: 1 15:40:01 -18.451671 0.422555 BFGS: 2 15:40:01 -18.462887 0.086273 BFGS: 3 15:40:01 -18.463248 0.058137 BFGS: 4 15:40:01 -18.463704 0.046213 BFGS: 5 15:40:01 -18.463794 0.044144 BFGS: 6 15:40:01 -18.464109 0.025333 BFGS: 7 15:40:01 -18.464161 0.010595 BFGS: 8 15:40:01 -18.464170 0.000531 BFGS: 9 15:40:01 -18.464170 0.000030 BFGS: 10 15:40:01 -18.464170 0.000001 BFGS: 11 15:40:01 -18.464170 0.000000 BFGS: 12 15:40:01 -18.464170 0.000000 Minimization converged after 12 steps. Maximum force component: 8.956185436447353e-11 eV/Angstrom Maximum stress component: 2.0084803494333587e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.33333333 0.66666667 0.56237142] [0.66666666 0.33333334 0.06237142] [0.66666666 0.33333334 0.43762858] [0.33333333 0.66666667 0.93762858]] cellpar = Cell([[3.84094640265855, -3.1341572689122102e-18, 8.035758134820681e-38], [-1.920473201329275, 3.326357159276758, -7.892842615730312e-38], [-6.478759476505036e-38, 3.410431599909436e-37, 6.265248932699279]]) forces = [[ 1.16385661e-31 1.70835490e-32 -8.95618544e-11] [ 1.26248852e-31 -2.18669427e-31 -8.95618544e-11] [ 2.62360896e-31 -1.70835490e-32 8.95618544e-11] [ 1.26248852e-31 -2.18669427e-31 8.95618544e-11]] stress = [ 6.29950523e-12 6.29950523e-12 -2.00848035e-11 1.67575653e-33 1.70735027e-34 -1.36547356e-27] energy per atom = -4.6160425922161 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0