element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
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.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:28:19      -29.492329         0.342485
BFGS:    1 15:28:19      -29.495654         0.272359
BFGS:    2 15:28:19      -29.502304         0.145239
BFGS:    3 15:28:19      -29.502643         0.145198
BFGS:    4 15:28:19      -29.509933         0.143320
BFGS:    5 15:28:19      -29.517044         0.139614
BFGS:    6 15:28:19      -29.523906         0.133785
BFGS:    7 15:28:19      -29.530413         0.125474
BFGS:    8 15:28:19      -29.536433         0.114269
BFGS:    9 15:28:19      -29.541812         0.099695
BFGS:   10 15:28:19      -29.546367         0.081223
BFGS:   11 15:28:19      -29.549889         0.058257
BFGS:   12 15:28:19      -29.552137         0.030138
BFGS:   13 15:28:19      -29.552833         0.004008
BFGS:   14 15:28:19      -29.552843         0.002060
BFGS:   15 15:28:19      -29.552844         0.000924
BFGS:   16 15:28:19      -29.552844         0.000018
BFGS:   17 15:28:19      -29.552844         0.000001
BFGS:   18 15:28:19      -29.552844         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.228283479768378e-31 eV/Angstrom
Maximum stress component: 9.265097924690953e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[5.78869744e-37 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.30853172e-37 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.455401294501157, 3.145565692837715e-18, -3.7211404468920464e-36], [-1.2277006472505785, 2.1264398975231975, -7.424191164150623e-36], [-1.1451455416760963e-35, -3.3047601716118113e-35, 7.2690248035899385]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.22828348e-31  4.13568967e-49 -4.89243704e-67]
 [-1.47031339e-69 -4.24315772e-69  9.33308836e-34]
 [-3.22828348e-31 -4.13568967e-49  4.89243704e-67]]
stress =  [ 9.26509792e-10  9.26509792e-10 -1.65422635e-10  2.65809159e-34
 -1.91471966e-44  7.74952164e-26]
energy per atom =  -7.388210937173363
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0