element(s): ['Al'] 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: ['4.039'] model name: EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 16:09:36 -13.439775 0.042366 BFGS: 1 16:09:36 -13.439848 0.038643 BFGS: 2 16:09:36 -13.440211 0.000226 BFGS: 3 16:09:36 -13.440211 0.000001 BFGS: 4 16:09:37 -13.440211 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.3544398534335174e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.38825721e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.032082346008482, -1.5526070434304638e-38, -6.654403892936329e-34], [-1.588543015436795e-33, 4.032082346008482, 1.3995720307142666e-18], [4.579416214938689e-33, 1.3995720307142655e-18, 4.032082346008482]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.35443985e-12 2.35443985e-12 2.35443985e-12 -9.27237915e-29 1.57950293e-35 -7.64236104e-51] energy per atom = -3.3600527231373793 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0