element(s): ['Co'] AFLOW prototype label: A_tI2_139_a 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: ['2.9317', '0.99628202'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]] ========================================= Step Time Energy fmax BFGS: 0 17:06:59 -8.657629 0.2581 BFGS: 1 17:06:59 -8.659753 0.1614 BFGS: 2 17:06:59 -8.660984 0.0162 BFGS: 3 17:06:59 -8.660989 0.0152 BFGS: 4 17:06:59 -8.663279 0.2822 BFGS: 5 17:06:59 -8.677399 0.3877 BFGS: 6 17:07:00 -8.707201 0.4102 BFGS: 7 17:07:00 -8.740166 0.3085 BFGS: 8 17:07:00 -8.754965 0.1955 BFGS: 9 17:07:00 -8.755649 0.1511 BFGS: 10 17:07:00 -8.756745 0.0033 BFGS: 11 17:07:00 -8.756745 0.0001 BFGS: 12 17:07:00 -8.756745 0.0000 BFGS: 13 17:07:00 -8.756745 0.0000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.557092690031213e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0580554381192795, -6.272147974657003e-34, -5.1953082933606186e-33], [-4.7797391277369745e-34, 3.0580554381192795, 5.461299466337089e-17], [-3.210616464175517e-33, 5.2044119095403507e-17, 2.544728105205867]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.55709269e-12 7.55709269e-12 5.27592813e-12 -7.54844086e-29 9.89951086e-35 -1.68742180e-51] energy per atom = -4.378372605964782 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0