element(s): ['Co', 'V'] AFLOW prototype label: AB3_cP8_223_a_c Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.6652'] model name: MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'V'] representative atom coordinates = [[0. 0. 0. ] [0.25 0. 0.5 ]] spacegroup = 223 cell = [[4.6652, 0, 0], [0, 4.6652, 0], [0, 0, 4.6652]] ========================================= Step Time Energy fmax BFGS: 0 16:49:15 -41.625019 0.237323 BFGS: 1 16:49:15 -41.627346 0.220208 BFGS: 2 16:49:15 -41.642024 0.005935 BFGS: 3 16:49:15 -41.642035 0.000155 BFGS: 4 16:49:15 -41.642035 0.000000 BFGS: 5 16:49:15 -41.642035 0.000000 Minimization converged after 5 steps. Maximum force component: 7.713315610221628e-32 eV/Angstrom Maximum stress component: 1.6675670217917e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'V', 'V', 'V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.50000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 2.50000000e-01 0.00000000e+00] [5.00000000e-01 7.50000000e-01 0.00000000e+00] [2.91573993e-49 5.00000000e-01 2.50000000e-01] [0.00000000e+00 5.00000000e-01 7.50000000e-01]] cellpar = Cell([[4.693338798262665, 2.4511869161565546e-32, -6.607663053050957e-33], [2.276126410629891e-32, 4.693338798262665, -7.584036894503887e-20], [6.253682195600464e-34, -7.584036894503362e-20, 4.693338798262665]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-7.71331561e-32 -1.77014567e-33 1.20520556e-33] [-3.08302873e-66 -6.02602782e-34 -1.20520556e-33] [ 4.82082226e-33 -9.64164451e-33 -1.20520556e-33] [-4.82082226e-33 -2.89249335e-32 -9.03904173e-34] [-4.82082226e-33 2.41041113e-33 6.74915116e-32] [-1.20520556e-33 -2.41041113e-33 -2.89249335e-32]] stress = [-1.66756702e-13 -1.66756702e-13 -1.66756702e-13 5.20107170e-30 -1.63208753e-34 -1.37087460e-51] energy per atom = -5.205254403347174 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0