element(s): ['Co', 'Pt'] AFLOW prototype label: AB_tP2_123_a_d 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: ['2.7881', '1.3009576'] model name: MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Pt'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 123 cell = [[2.7881, 0, 0], [0, 2.7881, 0], [0, 0, 3.6272]] ========================================= Step Time Energy fmax BFGS: 0 20:26:43 -10.443730 1.083810 BFGS: 1 20:26:43 -10.473916 0.753027 BFGS: 2 20:26:43 -10.498204 0.436477 BFGS: 3 20:26:43 -10.500427 0.354364 BFGS: 4 20:26:43 -10.508563 0.172424 BFGS: 5 20:26:43 -10.512397 0.119245 BFGS: 6 20:26:43 -10.513067 0.027636 BFGS: 7 20:26:43 -10.513103 0.004970 BFGS: 8 20:26:43 -10.513104 0.000074 BFGS: 9 20:26:43 -10.513104 0.000004 BFGS: 10 20:26:43 -10.513104 0.000000 BFGS: 11 20:26:43 -10.513104 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0657854625505682e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Pt'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.6892271224611277, 4.319107849311331e-35, -5.303602251148413e-32], [6.250114520570886e-35, 2.6892271224611273, -1.5194529955448595e-17], [4.796414232299951e-33, -2.0310099963264585e-17, 3.7341795063720284]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.16984853e-12 -6.16984853e-12 -1.06578546e-11 1.98315089e-27 -7.67145608e-35 1.70340544e-50] energy per atom = -5.2565520335495854 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0