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 16:08:55 -3.953913 0.640174 BFGS: 1 16:08:55 -3.970657 0.578683 BFGS: 2 16:08:55 -4.024131 0.103526 BFGS: 3 16:08:55 -4.024804 0.068161 BFGS: 4 16:08:55 -4.025216 0.004026 BFGS: 5 16:08:55 -4.025217 0.000113 BFGS: 6 16:08:55 -4.025217 0.000000 BFGS: 7 16:08:55 -4.025217 0.000000 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, -2.26588489042828e-33, -1.2330101294239978e-33], [-5.8760117348615536e-33, 3.8438997387062606, 8.912778038358519e-21], [6.070061612291219e-33, 8.912778038358848e-21, 3.8438997387062606]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 4.21057831e-13 4.21057831e-13 4.21057831e-13 -6.60871265e-29 -2.17242670e-36 1.44780783e-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