element(s): ['P'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.442'] model name: EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['P'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[2.442, 0, 0], [0, 2.442, 0], [0, 0, 2.442]] ========================================= Step Time Energy fmax BFGS: 0 16:36:57 1.892508 10.916079 BFGS: 1 16:36:57 0.551036 7.197788 BFGS: 2 16:36:57 -0.322700 4.609181 BFGS: 3 16:36:57 -0.871331 2.811989 BFGS: 4 16:36:57 -1.191131 1.513483 BFGS: 5 16:36:57 -1.339814 0.522293 BFGS: 6 16:36:57 -1.365118 0.132283 BFGS: 7 16:36:57 -1.367119 0.018384 BFGS: 8 16:36:57 -1.367160 0.000788 BFGS: 9 16:36:57 -1.367160 0.000005 BFGS: 10 16:36:57 -1.367160 0.000000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2142212995827446e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['P'] basis = [[0. 0. 0.]] cellpar = Cell([[3.1423419333079523, -1.5492950604272954e-32, -7.926711094482842e-34], [-1.7054754066433813e-32, 3.1423419333079523, -1.0808576043574921e-16], [-1.346552284839828e-32, -1.080857604357492e-16, 3.1423419333079523]]) forces = [[0. 0. 0.]] stress = [-1.21422130e-10 -1.21422130e-10 -1.21422130e-10 -1.10129612e-26 -4.53063789e-36 3.87624386e-52] energy per atom = -1.3671600094845964 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0