element(s): ['Ag'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.1492'] model name: EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 16:46:16 -11.824059 0.4905 BFGS: 1 16:46:16 -11.833810 0.4371 BFGS: 2 16:46:16 -11.869579 0.0333 BFGS: 3 16:46:16 -11.869775 0.0018 BFGS: 4 16:46:16 -11.869776 0.0000 BFGS: 5 16:46:16 -11.869776 0.0000 BFGS: 6 16:46:16 -11.869776 0.0000 BFGS: 7 16:46:16 -11.869776 0.0000 BFGS: 8 16:46:16 -11.869776 0.0000 BFGS: 9 16:46:16 -11.869776 0.0000 BFGS: 10 16:46:16 -11.869776 0.0000 BFGS: 11 16:46:16 -11.869776 0.0000 BFGS: 12 16:46:16 -11.869776 0.0000 BFGS: 13 16:46:16 -11.869776 0.0000 BFGS: 14 16:46:16 -11.869776 0.0000 BFGS: 15 16:46:16 -11.869776 0.0000 BFGS: 16 16:46:16 -11.869776 0.0000 BFGS: 17 16:46:16 -11.869776 0.0000 BFGS: 18 16:46:16 -11.869776 0.0000 BFGS: 19 16:46:16 -11.869776 0.0000 BFGS: 20 16:46:16 -11.869776 0.0000 BFGS: 21 16:46:16 -11.869776 0.0000 BFGS: 22 16:46:16 -11.869776 0.0000 BFGS: 23 16:46:16 -11.869776 0.0000 BFGS: 24 16:46:16 -11.869776 0.0000 BFGS: 25 16:46:16 -11.869776 0.0000 BFGS: 26 16:46:16 -11.869776 0.0000 BFGS: 27 16:46:16 -11.869776 0.0000 BFGS: 28 16:46:16 -11.869776 0.0000 BFGS: 29 16:46:16 -11.869776 0.0000 BFGS: 30 16:46:16 -11.869776 0.0000 BFGS: 31 16:46:16 -11.869776 0.0000 BFGS: 32 16:46:16 -11.869776 0.0000 BFGS: 33 16:46:16 -11.869776 0.0000 BFGS: 34 16:46:16 -11.869776 0.0000 BFGS: 35 16:46:16 -11.869776 0.0000 BFGS: 36 16:46:16 -11.869776 0.0000 BFGS: 37 16:46:16 -11.869776 0.0000 BFGS: 38 16:46:17 -11.869776 0.0000 BFGS: 39 16:46:17 -11.869776 0.0000 BFGS: 40 16:46:17 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16:49:19 -11.869776 0.0000 BFGS: 9992 16:49:19 -11.869776 0.0000 BFGS: 9993 16:49:19 -11.869776 0.0000 BFGS: 9994 16:49:19 -11.869776 0.0000 BFGS: 9995 16:49:19 -11.869776 0.0000 BFGS: 9996 16:49:19 -11.869776 0.0000 BFGS: 9997 16:49:19 -11.869776 0.0000 BFGS: 9998 16:49:19 -11.869776 0.0000 BFGS: 9999 16:49:19 -11.869776 0.0000 BFGS: 10000 16:49:19 -11.869776 0.0000 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.184701586696068e-07 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.59887869e-34]] cellpar = Cell([[4.0860001343845065, 1.2265599803479677e-31, 9.565418826025507e-33], [-6.062552624481921e-31, 4.0860001343845065, -6.696029055042122e-19], [-1.2408788410833757e-31, -6.696029055036706e-19, 4.0860001343845065]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 3.18470159e-07 3.18470159e-07 3.18470159e-07 2.16502945e-23 1.13009995e-53 -7.27663718e-54] energy per atom = -2.967443901030011 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0