element(s): ['Cu'] 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: ['2.8755'] model name: MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 16:04:37 -7.057933 0.032339 BFGS: 1 16:04:37 -7.057973 0.025935 BFGS: 2 16:04:37 -7.058045 0.000149 BFGS: 3 16:04:37 -7.058045 0.000001 BFGS: 4 16:04:37 -7.058045 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4942163543453865e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8721610243798743, 2.3245943531604706e-33, 1.3118342804020805e-33], [3.5763137046757645e-33, 2.8721610243798747, 5.982530694937746e-21], [3.008216513894741e-33, 5.982530694936493e-21, 2.8721610243798743]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [1.49421635e-12 1.49421635e-12 1.49421635e-12 1.56865856e-28 7.31525577e-34 6.31291062e-50] energy per atom = -3.529022725289909 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0