element(s): ['V'] 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: ['3.8599'] model name: EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['V'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.8599, 0, 0], [0, 3.8599, 0], [0, 0, 3.8599]] ========================================= Step Time Energy fmax BFGS: 0 15:20:52 -19.210198 0.024945 BFGS: 1 15:20:52 -19.210224 0.022190 BFGS: 2 15:20:52 -19.210319 0.000063 BFGS: 3 15:20:52 -19.210319 0.000000 BFGS: 4 15:20:52 -19.210319 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.398770318705519e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.10701510e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.43435194e-38 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.43435194e-38]] cellpar = Cell([[3.863021879067303, -5.317771090551417e-34, 5.458632755550781e-34], [2.486211427798096e-34, 3.863021879067303, 8.730218872740263e-22], [1.2756745688937311e-33, 8.730218872749103e-22, 3.863021879067303]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.39877032e-13 2.39877032e-13 2.39877032e-13 -2.97041388e-29 8.60389082e-36 9.22714786e-52] energy per atom = -4.802579789525556 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0