element(s): ['Fe', 'Ni'] AFLOW prototype label: AB_tP2_123_a_d 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: ['2.5968', '1.3704174'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 123 cell = [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]] ========================================= Step Time Energy fmax BFGS: 0 16:30:50 -8.771468 0.9147 BFGS: 1 16:30:51 -8.800298 0.6691 BFGS: 2 16:30:51 -8.831055 0.1119 BFGS: 3 16:30:51 -8.831248 0.0897 BFGS: 4 16:30:51 -8.832064 0.0499 BFGS: 5 16:30:51 -8.832348 0.0246 BFGS: 6 16:30:51 -8.832390 0.0063 BFGS: 7 16:30:51 -8.832392 0.0016 BFGS: 8 16:30:51 -8.832393 0.0000 BFGS: 9 16:30:51 -8.832393 0.0000 BFGS: 10 16:30:51 -8.832393 0.0000 BFGS: 11 16:30:51 -8.832393 0.0000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4279309476527135e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.5227704544435325, -4.317961582416142e-35, -2.987789621153694e-32], [-2.549697247143518e-35, 2.522770454443533, -1.4629468502000243e-18], [-4.85586029024629e-33, -2.02909906104013e-18, 3.5203228150943064]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.29899301e-12 -5.29899301e-12 -1.42793095e-11 -5.85405222e-27 2.16860403e-35 7.22290237e-51] energy per atom = -4.416196296299003 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0