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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 15:49:20      -93.264470         2.419934
BFGS:    1 15:49:20      -93.674809         2.245409
BFGS:    2 15:49:20      -94.141133         2.011315
BFGS:    3 15:49:20      -94.487055         1.798875
BFGS:    4 15:49:20      -94.748226         1.607004
BFGS:    5 15:49:20      -94.958395         1.432050
BFGS:    6 15:49:20      -95.139931         1.269780
BFGS:    7 15:49:20      -95.303884         1.116805
BFGS:    8 15:49:20      -95.454229         0.970826
BFGS:    9 15:49:20      -95.591418         0.830362
BFGS:   10 15:49:20      -95.714404         0.694453
BFGS:   11 15:49:20      -95.821671         0.562446
BFGS:   12 15:49:20      -95.911692         0.433863
BFGS:   13 15:49:20      -95.983068         0.308317
BFGS:   14 15:49:20      -96.034501         0.218714
BFGS:   15 15:49:20      -96.064608         0.125593
BFGS:   16 15:49:20      -96.072097         0.044474
BFGS:   17 15:49:20      -96.072530         0.029857
BFGS:   18 15:49:20      -96.073061         0.003609
BFGS:   19 15:49:20      -96.073069         0.000495
BFGS:   20 15:49:20      -96.073069         0.000030
BFGS:   21 15:49:20      -96.073069         0.000001
BFGS:   22 15:49:20      -96.073069         0.000000
Minimization converged after 22 steps.
Maximum force component: 5.810605476560472e-10 eV/Angstrom
Maximum stress component: 1.3519277631677465e-09 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 =  [[0.16159887 0.16159887 0.16159887]
 [0.33840113 0.83840113 0.66159887]
 [0.83840113 0.66159887 0.33840113]
 [0.66159887 0.33840113 0.83840113]
 [0.66159887 0.66159887 0.66159887]
 [0.83840113 0.33840113 0.16159887]
 [0.33840113 0.16159887 0.83840113]
 [0.16159887 0.83840113 0.33840113]
 [0.83840113 0.83840113 0.83840113]
 [0.66159887 0.16159887 0.33840113]
 [0.16159887 0.33840113 0.66159887]
 [0.33840113 0.66159887 0.16159887]
 [0.33840113 0.33840113 0.33840113]
 [0.16159887 0.66159887 0.83840113]
 [0.66159887 0.83840113 0.16159887]
 [0.83840113 0.16159887 0.66159887]]
cellpar =  Cell([[4.690354687176139, 5.2620198147066375e-37, 0.0], [8.500928994295172e-37, 4.690354687176139, 0.0], [0.0, 0.0, 4.690354687176139]])
forces =  [[ 5.81060548e-10  5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10 -5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10  5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10 -5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10  5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10 -5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10  5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10 -5.81060548e-10 -5.81060548e-10]
 [-5.81060548e-10 -5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10  5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10 -5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10  5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10 -5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10  5.81060548e-10 -5.81060548e-10]
 [ 5.81060548e-10 -5.81060548e-10  5.81060548e-10]
 [-5.81060548e-10  5.81060548e-10  5.81060548e-10]]
stress =  [-1.35192776e-09 -1.35192776e-09 -1.35192776e-09  0.00000000e+00
  0.00000000e+00  2.98818731e-33]
energy per atom =  -6.004566802360537
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0