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: MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002 ==== 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 21:44:06 -20.877321 0.325806 BFGS: 1 21:44:07 -20.881566 0.282164 BFGS: 2 21:44:07 -20.893912 0.012208 BFGS: 3 21:44:07 -20.893934 0.000429 BFGS: 4 21:44:07 -20.893934 0.000001 BFGS: 5 21:44:08 -20.893934 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2217816126346915e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.39659880e-51 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.67788307e-40 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.827534033623023, -8.585020946831547e-36, 1.1864873475777727e-36], [-6.289278159135197e-35, 3.827534033623023, 4.361549785732915e-23], [1.3400261652627697e-34, 4.3615497857304867e-23, 3.827534033623023]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.22178161e-12 -2.22178161e-12 -2.22178161e-12 6.48143282e-28 -8.62723603e-36 3.74922369e-51] energy per atom = -5.223483552399382 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0