element(s): ['Si'] AFLOW prototype label: A_oF16_69_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474'] model name: MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si'] representative atom coordinates = [[0. 0.27623302 0. ] [0.22815526 0. 0. ]] spacegroup = 69 cell = [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]] ========================================= Step Time Energy fmax BFGS: 0 16:59:43 -62.847575 3.036832 BFGS: 1 16:59:43 -63.292651 2.853623 BFGS: 2 16:59:43 -63.754062 2.655795 BFGS: 3 16:59:43 -64.165360 2.510082 BFGS: 4 16:59:43 -64.524647 2.370210 BFGS: 5 16:59:44 -64.838111 2.233456 BFGS: 6 16:59:44 -65.111595 2.098007 BFGS: 7 16:59:44 -65.350351 1.962805 BFGS: 8 16:59:44 -65.558946 1.827352 BFGS: 9 16:59:44 -65.741247 1.691544 BFGS: 10 16:59:44 -65.900459 1.555515 BFGS: 11 16:59:44 -66.039209 1.419541 BFGS: 12 16:59:44 -66.159626 1.283960 BFGS: 13 16:59:44 -66.263437 1.149123 BFGS: 14 16:59:44 -66.352049 1.015367 BFGS: 15 16:59:44 -66.426620 0.882993 BFGS: 16 16:59:44 -66.488123 0.752254 BFGS: 17 16:59:44 -66.537395 0.623350 BFGS: 18 16:59:44 -66.575181 0.496408 BFGS: 19 16:59:44 -66.602182 0.371463 BFGS: 20 16:59:44 -66.619120 0.248377 BFGS: 21 16:59:44 -66.626909 0.126497 BFGS: 22 16:59:44 -66.628401 0.132104 BFGS: 23 16:59:44 -66.630439 0.150483 BFGS: 24 16:59:45 -66.632426 0.147754 BFGS: 25 16:59:45 -66.633618 0.126347 BFGS: 26 16:59:45 -66.634464 0.102013 BFGS: 27 16:59:45 -66.635784 0.068493 BFGS: 28 16:59:45 -66.638018 0.085390 BFGS: 29 16:59:45 -66.640645 0.080353 BFGS: 30 16:59:45 -66.642197 0.050483 BFGS: 31 16:59:46 -66.642611 0.060384 BFGS: 32 16:59:46 -66.642709 0.057620 BFGS: 33 16:59:46 -66.642846 0.050233 BFGS: 34 16:59:46 -66.643097 0.034225 BFGS: 35 16:59:46 -66.643397 0.021689 BFGS: 36 16:59:46 -66.643608 0.020668 BFGS: 37 16:59:46 -66.643687 0.012509 BFGS: 38 16:59:46 -66.643709 0.005294 BFGS: 39 16:59:47 -66.643716 0.001938 BFGS: 40 16:59:47 -66.643717 0.000600 BFGS: 41 16:59:47 -66.643717 0.000108 BFGS: 42 16:59:47 -66.643717 0.000010 BFGS: 43 16:59:47 -66.643717 0.000001 BFGS: 44 16:59:47 -66.643717 0.000000 BFGS: 45 16:59:48 -66.643717 0.000000 Minimization converged after 45 steps. Maximum force component: 2.6562791332826476e-09 eV/Angstrom Maximum stress component: 8.149422589949799e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.91194629e-01 0.00000000e+00] [0.00000000e+00 7.08805371e-01 0.00000000e+00] [0.00000000e+00 7.91194629e-01 5.00000000e-01] [0.00000000e+00 2.08805371e-01 5.00000000e-01] [5.00000000e-01 2.91194629e-01 5.00000000e-01] [5.00000000e-01 7.08805371e-01 5.00000000e-01] [5.00000000e-01 7.91194629e-01 4.83555553e-33] [5.00000000e-01 2.08805371e-01 6.04444442e-34] [2.24235754e-01 1.00000000e+00 2.63016861e-37] [7.75764246e-01 1.00000000e+00 2.80649276e-37] [2.24235754e-01 5.00000000e-01 5.00000000e-01] [7.75764246e-01 5.00000000e-01 5.00000000e-01] [7.24235754e-01 1.00000000e+00 5.00000000e-01] [2.75764246e-01 1.00000000e+00 5.00000000e-01] [7.24235754e-01 5.00000000e-01 0.00000000e+00] [2.75764246e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[5.633797994490078, -3.2219049778053484e-54, 6.525743733551233e-38], [2.5717649303611956e-53, 9.951274659899413, -4.314482874541327e-17], [-3.6254284032250102e-37, -2.2345342591643706e-17, 5.098049876485031]]) forces = [[ 8.68024021e-33 -1.35990827e-09 5.89602956e-27] [-8.68024021e-33 1.35990827e-09 -5.89602759e-27] [ 1.73604804e-32 -1.35990827e-09 5.89602710e-27] [-1.73604804e-32 1.35990827e-09 -5.89602956e-27] [ 7.59521018e-33 -1.35990827e-09 5.89602956e-27] [-8.68024021e-33 1.35990827e-09 -5.89602563e-27] [ 1.73604804e-32 -1.35990827e-09 5.89603152e-27] [-1.73604804e-32 1.35990827e-09 -5.89602956e-27] [-2.65627913e-09 1.51909582e-63 -3.07682258e-47] [ 2.65627913e-09 -1.51909582e-63 3.07682258e-47] [-2.65627913e-09 3.44284515e-50 -7.85478953e-33] [ 2.65627913e-09 -3.44284515e-50 7.85478953e-33] [-2.65627913e-09 -1.72142258e-50 3.92739477e-33] [ 2.65627913e-09 3.44284515e-50 -7.85478953e-33] [-2.65627913e-09 3.44284515e-50 -7.85478953e-33] [ 2.65627913e-09 -3.44284515e-50 7.85478953e-33]] stress = [ 1.34438963e-11 -8.14942259e-11 5.22476407e-11 5.28334829e-26 -6.70556126e-36 -3.66313206e-53] energy per atom = -4.165232329585967 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0