element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:27:49      -88.085346        3.2714
BFGS:    1 15:27:49      -88.037877        2.4892
BFGS:    2 15:27:49      -88.236793        0.9902
BFGS:    3 15:27:49      -88.253959        0.6474
BFGS:    4 15:27:50      -88.262838        0.3023
BFGS:    5 15:27:50      -88.264552        0.2793
BFGS:    6 15:27:50      -88.273914        0.1139
BFGS:    7 15:27:50      -88.275180        0.0790
BFGS:    8 15:27:50      -88.276024        0.0084
BFGS:    9 15:27:50      -88.276032        0.0039
BFGS:   10 15:27:50      -88.276033        0.0040
BFGS:   11 15:27:50      -88.276034        0.0037
BFGS:   12 15:27:50      -88.276036        0.0026
BFGS:   13 15:27:50      -88.276037        0.0018
BFGS:   14 15:27:50      -88.276037        0.0005
BFGS:   15 15:27:50      -88.276037        0.0000
BFGS:   16 15:27:51      -88.276037        0.0000
BFGS:   17 15:27:51      -88.276037        0.0000
BFGS:   18 15:27:51      -88.276037        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.6153262605864715e-09 eV/Angstrom
Maximum stress component: 1.872453927178477e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.18921688e-35 0.00000000e+00 1.88480432e-01]
 [7.07173116e-35 0.00000000e+00 6.88480432e-01]
 [0.00000000e+00 7.26755983e-38 8.11519568e-01]
 [0.00000000e+00 0.00000000e+00 3.11519568e-01]
 [3.33333333e-01 6.66666667e-01 5.21516766e-01]
 [6.66666667e-01 3.33333333e-01 2.15167661e-02]
 [6.66666667e-01 3.33333333e-01 4.78483234e-01]
 [3.33333333e-01 6.66666667e-01 9.78483234e-01]
 [3.33333333e-01 6.66666667e-01 6.43538661e-01]
 [6.66666667e-01 3.33333333e-01 1.43538661e-01]
 [6.66666667e-01 3.33333333e-01 3.56461339e-01]
 [3.33333333e-01 6.66666667e-01 8.56461339e-01]]
cellpar =  Cell([[2.514490077340293, -3.6414196381227994e-19, 3.8814695475592366e-36], [-1.2572450386701466, 2.17761228454059, 7.560919633428459e-36], [1.962614765107555e-35, 4.1865161935560276e-36, 12.348598084748618]])
forces =  [[-3.30597153e-31  2.86305533e-31 -3.47766461e-09]
 [-2.27285543e-31  5.01034683e-31 -3.47766461e-09]
 [-2.47947865e-31  1.17906037e-45  3.47766461e-09]
 [-5.01061310e-31  1.52099814e-31  3.47766461e-09]
 [ 1.65298577e-31 -1.22571951e-45 -3.61532626e-09]
 [ 2.89272509e-31 -3.57881916e-31 -3.61532626e-09]
 [ 1.03311610e-31  1.07364575e-31  3.61532626e-09]
 [ 8.26492883e-32 -2.86305533e-31  3.61532626e-09]
 [ 5.00956482e-46  1.43152767e-31  3.16902782e-10]
 [-8.26492883e-32 -1.43152767e-31  3.16902782e-10]
 [-5.00956482e-46 -1.43152767e-31 -3.16902782e-10]
 [ 8.26492883e-32 -1.07450775e-46 -3.16902782e-10]]
stress =  [-9.89591380e-11 -9.89591380e-11 -1.87245393e-10 -1.03898650e-32
 -1.05857494e-33  6.20653360e-26]
energy per atom =  -7.3563364539306555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0