element(s): ['Ag'] AFLOW prototype label: A_hP2_194_c 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: ['2.933', '1.6373338'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ag__MO_505250810900_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.933, 0, 0], [-1.4665, 2.5400525092998, 0], [0, 0, 4.8023]] ========================================= Step Time Energy fmax BFGS: 0 14:46:17 -5.681221 0.4379 BFGS: 1 14:46:17 -5.687534 0.3536 BFGS: 2 14:46:17 -5.697482 0.1014 BFGS: 3 14:46:17 -5.697642 0.0662 BFGS: 4 14:46:17 -5.697772 0.0439 BFGS: 5 14:46:17 -5.698033 0.0297 BFGS: 6 14:46:17 -5.698109 0.0121 BFGS: 7 14:46:17 -5.698120 0.0026 BFGS: 8 14:46:17 -5.698120 0.0003 BFGS: 9 14:46:17 -5.698120 0.0000 BFGS: 10 14:46:17 -5.698120 0.0000 BFGS: 11 14:46:17 -5.698120 0.0000 Minimization converged after 11 steps. Maximum force component: 4.442355665324064e-33 eV/Angstrom Maximum stress component: 1.458466895283425e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.8832536706945664, 3.645732103249731e-18, -7.203290264201539e-37], [-1.4416268353472832, 2.4969709243762273, 1.1039190912852221e-36], [-1.602357914602441e-36, 5.151223366478322e-37, 4.781840530714487]]) forces = [[-4.44235567e-33 2.56479524e-33 1.87379951e-69] [ 4.44235567e-33 -2.56479524e-33 -1.87379951e-69]] stress = [-8.63239495e-11 -8.63239495e-11 -1.45846690e-10 6.88209442e-34 -6.48461116e-46 4.31559573e-26] energy per atom = -2.8490600653616642 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0