element(s): ['V'] 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: ['3.0482'] model name: MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['V'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.0482, 0, 0], [0, 3.0482, 0], [0, 0, 3.0482]] ========================================= Step Time Energy fmax BFGS: 0 17:16:04 -10.570386 0.607318 BFGS: 1 17:16:04 -10.584165 0.450370 BFGS: 2 17:16:04 -10.599889 0.039277 BFGS: 3 17:16:04 -10.600000 0.002233 BFGS: 4 17:16:04 -10.600000 0.000010 BFGS: 5 17:16:04 -10.600000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.9402231068837438e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.999911971463464, -3.076947409053978e-33, -3.4930173688468824e-33], [2.7480109449345948e-33, 2.999911971463464, -1.0363142578789716e-19], [1.2176502328545786e-32, -1.0363142578790229e-19, 2.999911971463464]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.94022311e-10 -1.94022311e-10 -1.94022311e-10 3.82297502e-28 -1.14135880e-34 -1.34099933e-50] energy per atom = -5.300000098422111 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0