element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:13      -57.151660         4.592832
BFGS:    1 15:51:13      -57.474035         2.124474
BFGS:    2 15:51:13      -57.559012         0.370790
BFGS:    3 15:51:13      -57.562127         0.364574
BFGS:    4 15:51:13      -57.569458         0.265451
BFGS:    5 15:51:13      -57.573762         0.198520
BFGS:    6 15:51:13      -57.575738         0.082931
BFGS:    7 15:51:13      -57.575991         0.046793
BFGS:    8 15:51:13      -57.576059         0.036092
BFGS:    9 15:51:13      -57.576143         0.031311
BFGS:   10 15:51:13      -57.576267         0.039140
BFGS:   11 15:51:13      -57.576361         0.025685
BFGS:   12 15:51:13      -57.576398         0.017292
BFGS:   13 15:51:13      -57.576410         0.015675
BFGS:   14 15:51:13      -57.576421         0.013532
BFGS:   15 15:51:13      -57.576441         0.015310
BFGS:   16 15:51:13      -57.576462         0.013039
BFGS:   17 15:51:13      -57.576471         0.005253
BFGS:   18 15:51:13      -57.576473         0.000727
BFGS:   19 15:51:13      -57.576473         0.000058
BFGS:   20 15:51:13      -57.576473         0.000007
BFGS:   21 15:51:13      -57.576473         0.000001
BFGS:   22 15:51:13      -57.576473         0.000000
BFGS:   23 15:51:13      -57.576473         0.000000
BFGS:   24 15:51:13      -57.576473         0.000000
BFGS:   25 15:51:13      -57.576473         0.000000
Minimization converged after 25 steps.
Maximum force component: 4.296954946372833e-09 eV/Angstrom
Maximum stress component: 6.65319200849997e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90564244e-01 0.00000000e+00 0.00000000e+00]
 [4.09435756e-01 0.00000000e+00 2.10229800e-36]
 [9.05642435e-02 5.00000000e-01 3.42179059e-36]
 [9.09435756e-01 5.00000000e-01 0.00000000e+00]
 [6.86650433e-01 2.99783184e-36 5.00000000e-01]
 [3.13349567e-01 4.37899770e-36 5.00000000e-01]
 [1.86650433e-01 5.00000000e-01 5.00000000e-01]
 [8.13349567e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.854451925055371, 7.454497805001864e-37, 0.0], [-2.680745721659846e-36, 2.6908447225899925, 0.0], [0.0, 0.0, 2.4882136707923315]])
forces =  [[ 4.29695495e-09  3.31672219e-32  0.00000000e+00]
 [-4.29695495e-09  1.65836110e-32  0.00000000e+00]
 [ 4.29695495e-09 -1.65836110e-32  0.00000000e+00]
 [-4.29695495e-09 -3.31672219e-32  0.00000000e+00]
 [-1.38391883e-09  1.07793471e-31  0.00000000e+00]
 [ 1.38391883e-09  6.63344439e-32  0.00000000e+00]
 [-1.38391883e-09  6.63344439e-32  0.00000000e+00]
 [ 1.38391883e-09  3.73131247e-32  0.00000000e+00]]
stress =  [6.65319201e-11 6.53397205e-11 1.60440645e-11 0.00000000e+00
 0.00000000e+00 5.86422827e-47]
energy per atom =  -7.1970590832436
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0