element(s): ['Pt'] 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: ['3.949'] model name: EAM_Dynamo_ZhouWadleyJohnson_2001_Pt__MO_102190350384_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 15:27:36 -23.054694 0.562433 BFGS: 1 15:27:36 -23.066475 0.414143 BFGS: 2 15:27:36 -23.079945 0.024347 BFGS: 3 15:27:36 -23.079842 0.000637 BFGS: 4 15:27:36 -23.079842 0.000030 BFGS: 5 15:27:36 -23.079842 0.000000 BFGS: 6 15:27:36 -23.079842 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.617468628255843e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.30294208e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.67647362e-37]] cellpar = Cell([[3.9201144802660304, -1.8331320688473356e-33, 5.79851546663425e-34], [3.505565709758765e-33, 3.9201144802660304, -5.1974609584565995e-20], [7.012521382279617e-34, -5.1974609584566253e-20, 3.9201144802660304]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.61746863e-14 2.61746863e-14 2.61746863e-14 -3.25269366e-30 1.13629379e-33 7.90603059e-51] energy per atom = -5.769960477933502 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0