element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:11     -105.673901        19.293282
BFGS:    1 15:56:11     -100.425148        36.521620
BFGS:    2 15:56:11     -108.854382         2.426268
BFGS:    3 15:56:11     -108.944759         0.993546
BFGS:    4 15:56:11     -109.027948         1.180350
BFGS:    5 15:56:11     -109.126340         2.046723
BFGS:    6 15:56:11     -109.216686         2.263313
BFGS:    7 15:56:11     -109.298205         2.119475
BFGS:    8 15:56:11     -109.366034         1.746456
BFGS:    9 15:56:11     -109.415387         1.209730
BFGS:   10 15:56:11     -109.441898         0.522979
BFGS:   11 15:56:11     -109.445159         0.135065
BFGS:   12 15:56:11     -109.445328         0.048878
BFGS:   13 15:56:11     -109.445374         0.001376
BFGS:   14 15:56:11     -109.445375         0.000634
BFGS:   15 15:56:11     -109.445375         0.000024
BFGS:   16 15:56:11     -109.445375         0.000000
BFGS:   17 15:56:12     -109.445375         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.7627312572561976e-10 eV/Angstrom
Maximum stress component: 5.525595073466718e-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 =  [[0.1648092 0.1648092 0.1648092]
 [0.8351908 0.8351908 0.1648092]
 [0.8351908 0.1648092 0.8351908]
 [0.1648092 0.8351908 0.8351908]
 [0.1648092 0.1648092 0.8351908]
 [0.8351908 0.8351908 0.8351908]
 [0.1648092 0.8351908 0.1648092]
 [0.8351908 0.1648092 0.1648092]
 [0.6648092 0.6648092 0.6648092]
 [0.3351908 0.3351908 0.6648092]
 [0.3351908 0.6648092 0.3351908]
 [0.6648092 0.3351908 0.3351908]
 [0.6648092 0.6648092 0.3351908]
 [0.3351908 0.3351908 0.3351908]
 [0.6648092 0.3351908 0.6648092]
 [0.3351908 0.6648092 0.6648092]]
cellpar =  Cell([[4.996530144831142, -1.2178343054120541e-32, -1.1620253521384629e-32], [-1.2817664639453402e-32, 4.996530144831142, -2.624507506056537e-18], [1.1003688663513647e-32, -2.6245075060565566e-18, 4.996530144831142]])
forces =  [[-1.76273126e-10 -1.76273126e-10 -1.76273126e-10]
 [ 1.76273126e-10  1.76273126e-10 -1.76273126e-10]
 [ 1.76273126e-10 -1.76273126e-10  1.76273126e-10]
 [-1.76273126e-10  1.76273126e-10  1.76273126e-10]
 [-1.76273126e-10 -1.76273126e-10  1.76273126e-10]
 [ 1.76273126e-10  1.76273126e-10  1.76273126e-10]
 [-1.76273126e-10  1.76273126e-10 -1.76273126e-10]
 [ 1.76273126e-10 -1.76273126e-10 -1.76273126e-10]
 [-1.76273126e-10 -1.76273126e-10 -1.76273126e-10]
 [ 1.76273126e-10  1.76273126e-10 -1.76273126e-10]
 [ 1.76273126e-10 -1.76273126e-10  1.76273126e-10]
 [-1.76273126e-10  1.76273126e-10  1.76273126e-10]
 [-1.76273126e-10 -1.76273126e-10  1.76273126e-10]
 [ 1.76273126e-10  1.76273126e-10  1.76273126e-10]
 [-1.76273126e-10  1.76273126e-10 -1.76273126e-10]
 [ 1.76273126e-10 -1.76273126e-10 -1.76273126e-10]]
stress =  [-5.52559507e-11 -5.52559507e-11 -5.52559507e-11 -2.29897590e-28
 -2.63318980e-32 -2.37512490e-49]
energy per atom =  -6.840335939590379
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0