element(s): ['C'] AFLOW prototype label: A_cI16_206_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.4773', '0.15607601'] model name: MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.15607601 0.15607601 0.15607601]] spacegroup = 206 cell = [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]] ========================================= Step Time Energy fmax BFGS: 0 17:36:12 -119.619764 2.2535 BFGS: 1 17:36:12 -120.798268 2.3626 BFGS: 2 17:36:12 -121.797864 2.4139 BFGS: 3 17:36:12 -122.480646 2.4053 BFGS: 4 17:36:12 -123.025473 2.3680 BFGS: 5 17:36:12 -123.494245 2.3134 BFGS: 6 17:36:12 -123.913948 2.2469 BFGS: 7 17:36:12 -124.298032 2.1712 BFGS: 8 17:36:12 -124.653759 2.0879 BFGS: 9 17:36:12 -124.985189 1.9982 BFGS: 10 17:36:12 -125.294552 1.9027 BFGS: 11 17:36:12 -125.582935 1.8019 BFGS: 12 17:36:12 -125.850636 1.6960 BFGS: 13 17:36:12 -126.097385 1.5852 BFGS: 14 17:36:12 -126.322491 1.4698 BFGS: 15 17:36:12 -126.524995 1.3499 BFGS: 16 17:36:12 -126.703870 1.2255 BFGS: 17 17:36:12 -126.858306 1.0968 BFGS: 18 17:36:12 -126.988090 0.9639 BFGS: 19 17:36:12 -127.094082 0.8273 BFGS: 20 17:36:12 -127.178679 0.6872 BFGS: 21 17:36:12 -127.246098 0.5441 BFGS: 22 17:36:12 -127.302133 0.3987 BFGS: 23 17:36:12 -127.353040 0.3374 BFGS: 24 17:36:12 -127.404009 0.3109 BFGS: 25 17:36:12 -127.459022 0.2451 BFGS: 26 17:36:12 -127.513479 0.1535 BFGS: 27 17:36:12 -127.553497 0.1342 BFGS: 28 17:36:12 -127.574766 0.0450 BFGS: 29 17:36:12 -127.576420 0.0061 BFGS: 30 17:36:12 -127.576436 0.0011 BFGS: 31 17:36:12 -127.576437 0.0001 BFGS: 32 17:36:12 -127.576437 0.0000 BFGS: 33 17:36:12 -127.576437 0.0000 BFGS: 34 17:36:12 -127.576437 0.0000 BFGS: 35 17:36:12 -127.576437 0.0000 Minimization converged after 35 steps. Maximum force component: 8.847955877985368e-11 eV/Angstrom Maximum stress component: 2.47210095859335e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.125 0.125 0.125] [0.375 0.875 0.625] [0.875 0.625 0.375] [0.625 0.375 0.875] [0.625 0.625 0.625] [0.875 0.375 0.125] [0.375 0.125 0.875] [0.125 0.875 0.375] [0.875 0.875 0.875] [0.625 0.125 0.375] [0.125 0.375 0.625] [0.375 0.625 0.125] [0.375 0.375 0.375] [0.125 0.625 0.875] [0.625 0.875 0.125] [0.875 0.125 0.625]] cellpar = Cell([[4.135845871338239, 2.4303193134646144e-37, 0.0], [-8.678898735822135e-37, 4.135845871338239, 0.0], [0.0, 0.0, 4.135845871338239]]) forces = [[ 8.84795588e-11 8.84795588e-11 8.84795588e-11] [-8.84795588e-11 -8.84795588e-11 8.84795588e-11] [-8.84795588e-11 8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 -8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 8.84795588e-11 8.84795588e-11] [-8.84795588e-11 -8.84795588e-11 8.84795588e-11] [-8.84795588e-11 8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 -8.84795588e-11 -8.84795588e-11] [-8.84795588e-11 -8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 -8.84795588e-11 8.84795588e-11] [-8.84795588e-11 8.84795588e-11 8.84795588e-11] [-8.84795588e-11 -8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 8.84795588e-11 -8.84795588e-11] [ 8.84795588e-11 -8.84795588e-11 8.84795588e-11] [-8.84795588e-11 8.84795588e-11 8.84795588e-11]] stress = [2.47210096e-11 2.47210096e-11 2.47210096e-11 0.00000000e+00 0.00000000e+00 3.60297935e-34] energy per atom = -7.973527321707293 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_cI16_206_c, while relaxed is A_cI16_230_b. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.