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: EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005 ==== 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 18:11:51 -10.027845 0.2480 BFGS: 1 18:11:51 -10.030090 0.1744 BFGS: 2 18:11:51 -10.032306 0.0018 BFGS: 3 18:11:51 -10.032306 0.0000 BFGS: 4 18:11:51 -10.032306 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.52297606695088e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0298694505008763, -1.6672022576692026e-34, -5.750992743073182e-35], [-1.1858240672978727e-33, 3.0298694505008763, -3.839592085824555e-21], [-3.2557411797168223e-35, -3.839592085824512e-21, 3.0298694505008763]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.52297607e-11 1.52297607e-11 1.52297607e-11 4.46275860e-28 -1.11890028e-34 -3.82131970e-51] energy per atom = -5.016152959963122 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0