element(s): ['U'] 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: ['3.7679'] model name: EAM_Dynamo_SmirnovaStarikovStegailov_2012_U__MO_649864794085_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['U'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.7679, 0, 0], [0, 3.7679, 0], [0, 0, 3.7679]] ========================================= Step Time Energy fmax BFGS: 0 18:11:48 -7.673482 2.1440 BFGS: 1 18:11:48 -7.901393 2.7800 BFGS: 2 18:11:48 -8.340240 2.7508 BFGS: 3 18:11:48 -8.444534 0.6192 BFGS: 4 18:11:48 -8.458103 0.3398 BFGS: 5 18:11:48 -8.460985 0.2041 BFGS: 6 18:11:48 -8.462076 0.0256 BFGS: 7 18:11:48 -8.462095 0.0015 BFGS: 8 18:11:48 -8.462095 0.0000 BFGS: 9 18:11:48 -8.462095 0.0000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.8427945615359645e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['U', 'U'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.553190764828028, -5.710789644275502e-33, -9.395902478829166e-33], [-1.1903540367917227e-32, 3.553190764828028, 2.145059690145575e-17], [1.0620754956515876e-32, 2.1450596901455738e-17, 3.553190764828028]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.84279456e-10 -2.84279456e-10 -2.84279456e-10 -4.26120827e-27 -8.13583560e-35 -2.26997101e-51] energy per atom = -4.231047564754727 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0