element(s): ['Li'] AFLOW prototype label: A_hP1_191_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9353', '0.92505025'] model name: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0 0 0]] spacegroup = 191 cell = [[2.9353, 0, 0], [-1.46765, 2.5420443677285, 0], [0, 0, 2.7153]] ========================================= Step Time Energy fmax BFGS: 0 22:32:54 -1.604168 0.386683 BFGS: 1 22:32:54 -1.607308 0.361480 BFGS: 2 22:32:54 -1.625695 0.161872 BFGS: 3 22:32:55 -1.629232 0.062266 BFGS: 4 22:32:55 -1.629420 0.042681 BFGS: 5 22:32:55 -1.629551 0.045124 BFGS: 6 22:32:55 -1.629850 0.040661 BFGS: 7 22:32:55 -1.630115 0.024210 BFGS: 8 22:32:55 -1.630231 0.007817 BFGS: 9 22:32:56 -1.630249 0.002548 BFGS: 10 22:32:56 -1.630251 0.000190 BFGS: 11 22:32:56 -1.630251 0.000016 BFGS: 12 22:32:56 -1.630251 0.000000 BFGS: 13 22:32:56 -1.630251 0.000000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.4252699357518185e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[3.0359251665082243, 1.409457961666438e-17, -2.2018505273258128e-36], [-1.5179625832541122, 2.6291883181846236, 1.2474809805468238e-36], [-2.4574960113208365e-35, -1.5048404864957674e-35, 3.0176730473686657]]) forces = [[0. 0. 0.]] stress = [-3.33878676e-11 -3.33878676e-11 -2.42526994e-10 -2.99746759e-46 -4.98638510e-46 4.82423257e-27] energy per atom = -1.6302507764323677 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0