element(s): ['Pb'] 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: ['5.0157'] model name: EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pb'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[5.0157, 0, 0], [0, 5.0157, 0], [0, 0, 5.0157]] ========================================= Step Time Energy fmax BFGS: 0 17:11:50 -8.041415 0.6836 BFGS: 1 17:11:50 -8.060053 0.5890 BFGS: 2 17:11:50 -8.114489 0.1560 BFGS: 3 17:11:50 -8.119605 0.0378 BFGS: 4 17:11:50 -8.119998 0.0080 BFGS: 5 17:11:50 -8.120016 0.0005 BFGS: 6 17:11:50 -8.120016 0.0000 BFGS: 7 17:11:50 -8.120016 0.0000 BFGS: 8 17:11:50 -8.120016 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.750305195821725e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.57515362e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.84633118e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.909122237016978, -5.319595928995551e-32, -1.1590126908805594e-33], [-4.7396266537424933e-32, 4.909122237016978, 3.373131180452715e-18], [6.285616301998562e-33, 3.3731311804527264e-18, 4.909122237016978]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.75030520e-14 -4.75030520e-14 -4.75030520e-14 -2.43569755e-30 1.51768354e-62 5.80320771e-62] energy per atom = -2.030003920234715 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0