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_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 15:22:17      -29.322976        1.5507
BFGS:    1 15:22:17      -29.383541        1.1858
BFGS:    2 15:22:17      -29.463100        0.4179
BFGS:    3 15:22:17      -29.475209        0.0307
BFGS:    4 15:22:17      -29.475277        0.0017
BFGS:    5 15:22:17      -29.475277        0.0017
BFGS:    6 15:22:17      -29.475277        0.0017
BFGS:    7 15:22:17      -29.475278        0.0017
BFGS:    8 15:22:17      -29.475278        0.0030
BFGS:    9 15:22:17      -29.475281        0.0055
BFGS:   10 15:22:17      -29.475285        0.0089
BFGS:   11 15:22:17      -29.475296        0.0125
BFGS:   12 15:22:17      -29.475312        0.0136
BFGS:   13 15:22:17      -29.475328        0.0090
BFGS:   14 15:22:17      -29.475334        0.0028
BFGS:   15 15:22:17      -29.475334        0.0004
BFGS:   16 15:22:17      -29.475334        0.0000
BFGS:   17 15:22:17      -29.475334        0.0000
BFGS:   18 15:22:17      -29.475334        0.0000
BFGS:   19 15:22:17      -29.475334        0.0000
Minimization converged after 19 steps.
Maximum force component: 3.3268552560326604e-30 eV/Angstrom
Maximum stress component: 3.558586532131027e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[8.82187082e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 2.78362118e-37 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.530374037309345, -1.0114241878882112e-17, 9.512755408431348e-38], [-1.2651870186546725, 2.1913681973864865, 2.799518401365296e-37], [-6.175358316207274e-37, 1.962178476881002e-36, 8.480578886843247]])
forces =  [[-3.32685526e-30  1.15245647e-30  6.80541701e-35]
 [ 3.32685526e-31 -5.76228233e-31 -6.80541701e-35]
 [ 9.91108958e-72 -3.14918190e-71 -1.36108340e-34]
 [-9.91108958e-72  3.14918190e-71  1.36108340e-34]]
stress =  [-3.55858653e-10 -3.55858653e-10 -2.94300794e-11  8.43369509e-40
  1.46076022e-39 -1.26447983e-26]
energy per atom =  -7.368833549618654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0