element(s): ['Cr'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6528'] 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 = 225 cell = [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]] ========================================= Step Time Energy fmax BFGS: 0 16:51:04 -16.554753 1.1750 BFGS: 1 16:51:04 -16.610807 1.0496 BFGS: 2 16:51:04 -16.737114 0.6230 BFGS: 3 16:51:04 -16.795800 0.1593 BFGS: 4 16:51:04 -16.799996 0.0045 BFGS: 5 16:51:04 -16.800000 0.0001 BFGS: 6 16:51:04 -16.800000 0.0000 BFGS: 7 16:51:04 -16.800000 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.330337868454095e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr', 'Cr', 'Cr'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.530000065938372, 1.4185400930733174e-32, 6.168776556853846e-33], [1.6295144362834925e-32, 3.530000065938372, -1.347587991634307e-17], [-7.217071723541804e-33, -1.347587991634306e-17, 3.530000065938372]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.33033787e-13 2.33033787e-13 2.33033787e-13 -6.47677272e-31 -1.03038564e-35 5.00020368e-53] energy per atom = -4.199999985846816 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0