element(s): ['Pb'] 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: ['3.975'] 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 = 229 cell = [[3.975, 0, 0], [0, 3.975, 0], [0, 0, 3.975]] ========================================= Step Time Energy fmax BFGS: 0 18:07:58 -3.953913 0.6402 BFGS: 1 18:07:58 -3.970657 0.5787 BFGS: 2 18:07:58 -4.024131 0.1035 BFGS: 3 18:07:58 -4.024804 0.0682 BFGS: 4 18:07:58 -4.025216 0.0040 BFGS: 5 18:07:58 -4.025217 0.0001 BFGS: 6 18:07:58 -4.025217 0.0000 BFGS: 7 18:07:58 -4.025217 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.210578310057928e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.8438997387062606, 7.737343434757826e-34, 1.0475031625172835e-33], [-1.600505301946543e-33, 3.8438997387062606, 8.912677473661826e-21], [1.881972450429674e-33, 8.912677473661287e-21, 3.8438997387062606]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 4.21057831e-13 4.21057831e-13 4.21057831e-13 1.39210132e-28 -2.17242670e-36 2.66118374e-52] energy per atom = -2.0126086964581313 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0