element(s): ['Cu'] 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: ['2.8755'] model name: EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 16:03:08 -6.978473 0.229151 BFGS: 1 16:03:08 -6.980493 0.182008 BFGS: 2 16:03:08 -6.983843 0.007488 BFGS: 3 16:03:08 -6.983849 0.000236 BFGS: 4 16:03:08 -6.983849 0.000000 BFGS: 5 16:03:08 -6.983849 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.496727828106813e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8533185311336933, -1.2955196258040888e-32, 4.429553255740342e-33], [1.3765168081150977e-32, 2.8533185311336937, 3.32913799302068e-19], [5.7275725519980465e-33, 3.3291379930206824e-19, 2.8533185311336933]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.49672783e-13 -9.49672783e-13 -9.49672783e-13 3.99755016e-28 -3.15412360e-35 6.60953458e-51] energy per atom = -3.4919243304395104 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0