element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['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:
['2.467734', '14.757233', '0.94637264', '0.72030293']
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.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:08:07      -88.281846         0.650594
BFGS:    1 15:08:08      -88.341787         0.433001
BFGS:    2 15:08:08      -88.350339         0.445968
BFGS:    3 15:08:08      -88.371168         0.280769
BFGS:    4 15:08:08      -88.374290         0.257461
BFGS:    5 15:08:08      -88.388290         0.137116
BFGS:    6 15:08:08      -88.391748         0.094917
BFGS:    7 15:08:08      -88.392628         0.064404
BFGS:    8 15:08:08      -88.393115         0.064611
BFGS:    9 15:08:08      -88.394586         0.104548
BFGS:   10 15:08:08      -88.397721         0.168752
BFGS:   11 15:08:08      -88.403931         0.229696
BFGS:   12 15:08:08      -88.410230         0.220458
BFGS:   13 15:08:08      -88.415842         0.125340
BFGS:   14 15:08:08      -88.417870         0.021091
BFGS:   15 15:08:08      -88.417940         0.001079
BFGS:   16 15:08:08      -88.417940         0.000108
BFGS:   17 15:08:08      -88.417940         0.000000
BFGS:   18 15:08:08      -88.417940         0.000000
BFGS:   19 15:08:08      -88.417940         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.4417616077225086e-11 eV/Angstrom
Maximum stress component: 2.748189344364493e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.55297051e-31 5.10594101e-31 4.48496642e-01]
 [0.00000000e+00 1.03900403e-16 5.51503358e-01]
 [6.66666667e-01 3.33333333e-01 7.81829975e-01]
 [6.66666667e-01 3.33333333e-01 8.84836692e-01]
 [3.33333333e-01 6.66666667e-01 1.15163308e-01]
 [3.33333333e-01 6.66666667e-01 2.18170025e-01]
 [1.14897458e-17 2.55297051e-31 2.17178005e-01]
 [1.00000000e+00 8.81935266e-31 7.82821995e-01]
 [6.66666667e-01 3.33333333e-01 5.50511339e-01]
 [6.66666667e-01 3.33333333e-01 1.16155328e-01]
 [3.33333333e-01 6.66666667e-01 8.83844672e-01]
 [3.33333333e-01 6.66666667e-01 4.49488661e-01]]
cellpar =  Cell([[2.4529952479892834, -7.909343877199795e-19, 1.0503292470817388e-17], [-1.2264976239946417, 2.1243562001212255, 4.8061046426759694e-17], [1.565109484110784e-16, 9.102378441239291e-16, 35.85085297691952]])
forces =  [[ 1.05360684e-28  6.01756464e-28  2.37155966e-11]
 [-1.06220716e-28 -6.00266845e-28 -2.37155966e-11]
 [ 1.05038172e-28  6.01011654e-28  2.37155966e-11]
 [-1.05118800e-28 -5.99894440e-28 -2.37155966e-11]
 [ 1.04608156e-28  6.00639249e-28  2.37155966e-11]
 [-1.05736948e-28 -6.00546148e-28 -2.37155966e-11]
 [ 1.06920373e-28  6.19766640e-28  2.44176161e-11]
 [-1.04447781e-28 -6.20325248e-28 -2.44176161e-11]
 [ 1.07027877e-28  6.20325248e-28  2.44176161e-11]
 [-1.04877797e-28 -6.19952843e-28 -2.44176161e-11]
 [ 1.06678489e-28  6.19952843e-28  2.44176161e-11]
 [-1.05012177e-28 -6.20418349e-28 -2.44176161e-11]]
stress =  [-2.74818934e-13 -2.74818934e-13 -1.37543209e-14  1.21656668e-29
 -7.13059237e-30  5.17106822e-29]
energy per atom =  -7.368161705714402
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0