element(s): ['Fe'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9647'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]] ========================================= Step Time Energy fmax BFGS: 0 15:53:19 -8.454001 1.421052 BFGS: 1 15:53:19 -8.527589 0.989753 BFGS: 2 15:53:19 -8.601480 0.076239 BFGS: 3 15:53:19 -8.601879 0.008247 BFGS: 4 15:53:19 -8.601883 0.000101 BFGS: 5 15:53:19 -8.601883 0.000000 BFGS: 6 15:53:19 -8.601883 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.517656023749644e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.86034199506286, -1.1030283297206812e-32, 1.0716415588233226e-35], [-1.1407007718210379e-32, 2.86034199506286, 1.6175210257443886e-18], [-5.734661402821791e-34, 1.617521025744341e-18, 2.86034199506286]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.51765602e-14 -9.51765602e-14 -9.51765602e-14 -5.94472154e-31 3.92331619e-36 2.88211374e-53] energy per atom = -4.300941665238409 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0