element(s): ['Ag'] AFLOW prototype label: A_hP4_194_ac Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9312', '3.2802265'] model name: EAM_Dynamo_WilliamsMishinHamilton_2006_Ag__MO_131620013077_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag', 'Ag'] representative atom coordinates = [[0. 0. 0. ] [0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.9312, 0, 0], [-1.4656, 2.5384936635729, 0], [0, 0, 9.615]] ========================================= Step Time Energy fmax BFGS: 0 16:10:41 -11.343547 0.518634 BFGS: 1 16:10:41 -11.353112 0.472240 BFGS: 2 16:10:41 -11.389754 0.129149 BFGS: 3 16:10:41 -11.391079 0.035857 BFGS: 4 16:10:41 -11.391132 0.041056 BFGS: 5 16:10:41 -11.391320 0.047378 BFGS: 6 16:10:41 -11.391534 0.039977 BFGS: 7 16:10:41 -11.391692 0.017993 BFGS: 8 16:10:41 -11.391729 0.004627 BFGS: 9 16:10:41 -11.391732 0.000583 BFGS: 10 16:10:41 -11.391732 0.000047 BFGS: 11 16:10:41 -11.391732 0.000002 BFGS: 12 16:10:41 -11.391732 0.000000 BFGS: 13 16:10:41 -11.391732 0.000000 Minimization converged after 13 steps. Maximum force component: 2.1432216604590325e-32 eV/Angstrom Maximum stress component: 1.7062421102958252e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.19907868e-52 6.66510997e-53 5.00000000e-01] [3.33333333e-01 6.66666667e-01 2.50000000e-01] [6.66666667e-01 3.33333333e-01 7.50000000e-01]] cellpar = Cell([[2.894028441787494, 2.0042357611095293e-17, -1.122469514836542e-37], [-1.447014220893747, 2.5063021498626634, 4.025816878710687e-37], [-1.3096632323056382e-36, -6.847435536793051e-37, 9.404149094150899]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 4.45895683e-33 3.08801413e-50 -2.14322166e-32] [ 1.41200300e-32 -3.86156989e-33 -1.08145880e-69]] stress = [-1.70624211e-11 -1.70624211e-11 5.17386842e-13 4.35799052e-34 1.50965220e-34 -1.42876537e-27] energy per atom = -2.847932991519801 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0