element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:55      -55.521875         7.394794
BFGS:    1 17:28:55      -57.196283         2.095370
BFGS:    2 17:28:55      -57.303064         1.893010
BFGS:    3 17:28:55      -57.430410         1.525098
BFGS:    4 17:28:55      -57.528920         1.135486
BFGS:    5 17:28:55      -57.597728         0.726844
BFGS:    6 17:28:55      -57.635145         0.296645
BFGS:    7 17:28:55      -57.642016         0.010174
BFGS:    8 17:28:55      -57.642022         0.006610
BFGS:    9 17:28:55      -57.642025         0.007393
BFGS:   10 17:28:55      -57.642031         0.006102
BFGS:   11 17:28:55      -57.642033         0.003264
BFGS:   12 17:28:55      -57.642034         0.001390
BFGS:   13 17:28:56      -57.642034         0.000281
BFGS:   14 17:28:56      -57.642034         0.000026
BFGS:   15 17:28:56      -57.642034         0.000003
BFGS:   16 17:28:56      -57.642034         0.000000
BFGS:   17 17:28:56      -57.642034         0.000000
BFGS:   18 17:28:56      -57.642034         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.2219813108303703e-10 eV/Angstrom
Maximum stress component: 4.172421696676441e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.10542524e-01 8.10542524e-01 1.27127968e-33]
 [1.89457476e-01 1.89457476e-01 2.38364940e-34]
 [1.89457476e-01 8.10542524e-01 9.53459761e-34]
 [8.10542524e-01 1.89457476e-01 2.38364940e-34]
 [3.10542524e-01 3.10542524e-01 5.00000000e-01]
 [6.89457476e-01 6.89457476e-01 5.00000000e-01]
 [6.89457476e-01 3.10542524e-01 5.00000000e-01]
 [3.10542524e-01 6.89457476e-01 5.00000000e-01]]
cellpar =  Cell([[4.460634134742955, 1.9283780948050816e-36, 1.5260276479791957e-32], [1.1982911434393437e-35, 4.460634134742956, -6.632287517814679e-18], [-4.144209706693336e-33, -3.707373385619318e-18, 2.423926029105334]])
forces =  [[-4.22198131e-10 -4.22198131e-10  6.27625182e-28]
 [ 4.22198131e-10  4.22198131e-10 -6.27640120e-28]
 [ 4.22198131e-10 -4.22198131e-10  6.27755895e-28]
 [-4.22198131e-10  4.22198131e-10 -6.27505673e-28]
 [-4.22198131e-10 -4.22198131e-10  6.27669998e-28]
 [ 4.22198131e-10  4.22198131e-10 -6.27505673e-28]
 [ 4.22198131e-10 -4.22198131e-10  6.27744691e-28]
 [-4.22198131e-10  4.22198131e-10 -6.27603708e-28]]
stress =  [ 2.81282954e-10  2.81282954e-10  4.17242170e-10  1.54136236e-25
 -1.36799887e-32 -3.16941001e-48]
energy per atom =  -7.205254290306546
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0