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_CuAgAu__MO_318213562153_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 15:37:08 -5.681221 0.437855 BFGS: 1 15:37:08 -5.687534 0.353630 BFGS: 2 15:37:08 -5.697482 0.101417 BFGS: 3 15:37:08 -5.697642 0.066205 BFGS: 4 15:37:08 -5.697772 0.043872 BFGS: 5 15:37:08 -5.698033 0.029716 BFGS: 6 15:37:08 -5.698109 0.012119 BFGS: 7 15:37:08 -5.698120 0.002647 BFGS: 8 15:37:08 -5.698120 0.000271 BFGS: 9 15:37:08 -5.698120 0.000007 BFGS: 10 15:37:08 -5.698120 0.000000 BFGS: 11 15:37:08 -5.698120 0.000000 Minimization converged after 11 steps. Maximum force component: 9.625103941535281e-33 eV/Angstrom Maximum stress component: 1.4584712166748787e-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([[2.883253670694509, 8.208074011095538e-20, 8.005017961720398e-37], [-1.4416268353472546, 2.496970924376177, -4.146312309708545e-36], [1.0415286240410209e-37, 1.0657037137825083e-36, 4.781840530714407]]) forces = [[-9.62510394e-33 6.41198810e-33 -1.22918338e-68] [ 8.88471133e-33 -5.12959048e-33 1.01623652e-68]] stress = [-8.63245082e-11 -8.63245082e-11 -1.45847122e-10 1.72052360e-34 5.06675028e-46 9.23280287e-27] energy per atom = -2.8490600653616682 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0