element(s): ['Ag'] AFLOW prototype label: A_hP4_194_ac Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9312', '3.2802265'] model name: MEAM_LAMMPS_LeeShimBaskes_2003_Ag__MO_969318541747_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag', 'Ag'] representative atom coordinates = [[0. 0. 0. ] [0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.9312, 0, 0], [-1.4656, 2.5384936635729, 0], [0, 0, 9.615]] ========================================= Step Time Energy fmax BFGS: 0 00:13:51 -11.321455 0.599004 BFGS: 1 00:13:51 -11.335507 0.541617 BFGS: 2 00:13:51 -11.386475 0.168702 BFGS: 3 00:13:51 -11.390617 0.027425 BFGS: 4 00:13:51 -11.390690 0.013781 BFGS: 5 00:13:51 -11.390694 0.013131 BFGS: 6 00:13:51 -11.390737 0.000120 BFGS: 7 00:13:51 -11.390737 0.000002 BFGS: 8 00:13:51 -11.390737 0.000000 Minimization converged after 8 steps. Maximum force component: 3.840989334613595e-33 eV/Angstrom Maximum stress component: 1.8547875263894773e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0. 0.5 ] [0.33333333 0.66666667 0.25 ] [0.66666667 0.33333333 0.75 ]] cellpar = Cell([[2.8786044798207886, 4.4948890872758125e-18, -1.446804822247848e-36], [-1.4393022399103943, 2.492944606972493, -9.572351388804754e-36], [-4.4045487059982776e-36, 1.2094926113531663e-36, 9.417983643497864]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.69599371e-34 6.40164889e-34 -2.45809042e-69] [-7.39198742e-34 3.84098933e-33 -1.54915945e-68]] stress = [-4.85731061e-12 -4.85731061e-12 -1.85478753e-11 1.74996211e-34 3.03102328e-34 -1.32762445e-27] energy per atom = -2.847684147030446 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0