element(s): ['Cr'] 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: ['2.8741'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]] ========================================= Step Time Energy fmax BFGS: 0 16:50:37 -8.220959 0.706086 BFGS: 1 16:50:37 -8.241199 0.628862 BFGS: 2 16:50:37 -8.288317 0.090785 BFGS: 3 16:50:37 -8.288928 0.026429 BFGS: 4 16:50:37 -8.288984 0.000114 BFGS: 5 16:50:37 -8.288984 0.000000 BFGS: 6 16:50:37 -8.288984 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.995564880963454e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7947813691207806, 7.06374345698783e-34, 6.04374488311997e-33], [7.465595086644744e-34, 2.7947813691207806, 2.3955171029966147e-21], [-8.614086428682898e-33, 2.3955171030107537e-21, 2.7947813691207806]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 4.99556488e-14 4.99556488e-14 4.99556488e-14 5.70757317e-30 3.55617870e-63 -1.21778065e-62] energy per atom = -4.144491911319259 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0