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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 13:11:48      -88.085346        3.2714
BFGS:    1 13:11:48      -88.037877        2.4892
BFGS:    2 13:11:48      -88.236793        0.9902
BFGS:    3 13:11:48      -88.253959        0.6474
BFGS:    4 13:11:48      -88.262838        0.3023
BFGS:    5 13:11:48      -88.264553        0.2793
BFGS:    6 13:11:48      -88.273914        0.1139
BFGS:    7 13:11:48      -88.275180        0.0790
BFGS:    8 13:11:48      -88.276025        0.0084
BFGS:    9 13:11:48      -88.276032        0.0039
BFGS:   10 13:11:48      -88.276033        0.0040
BFGS:   11 13:11:48      -88.276034        0.0037
BFGS:   12 13:11:48      -88.276036        0.0026
BFGS:   13 13:11:48      -88.276037        0.0018
BFGS:   14 13:11:48      -88.276037        0.0005
BFGS:   15 13:11:48      -88.276037        0.0000
BFGS:   16 13:11:48      -88.276037        0.0000
BFGS:   17 13:11:48      -88.276037        0.0000
BFGS:   18 13:11:48      -88.276037        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.619478272653963e-09 eV/Angstrom
Maximum stress component: 1.8704422434052688e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[9.61382953e-36 8.61588380e-36 1.88480434e-01]
 [3.76569300e-35 0.00000000e+00 6.88480434e-01]
 [2.51811097e-35 2.33817020e-35 8.11519566e-01]
 [8.51550282e-36 7.98371408e-36 3.11519566e-01]
 [3.33333333e-01 6.66666667e-01 5.21516764e-01]
 [6.66666667e-01 3.33333333e-01 2.15167639e-02]
 [6.66666667e-01 3.33333333e-01 4.78483236e-01]
 [3.33333333e-01 6.66666667e-01 9.78483236e-01]
 [3.33333333e-01 6.66666667e-01 6.43538662e-01]
 [6.66666667e-01 3.33333333e-01 1.43538662e-01]
 [6.66666667e-01 3.33333333e-01 3.56461338e-01]
 [3.33333333e-01 6.66666667e-01 8.56461338e-01]]
cellpar =  Cell([[2.514490075570511, -3.977764848436912e-19, -5.455879743949288e-37], [-1.2572450377852555, 2.1776122830079143, -1.063390036025988e-36], [-2.5958505457080827e-36, 6.434279034420752e-36, 12.348598144202183]])
forces =  [[ 1.65298576e-31 -1.43152766e-31 -3.47894177e-09]
 [-1.23973932e-31  1.43152766e-31 -3.47894177e-09]
 [-1.03311610e-31  3.57881916e-32  3.47894177e-09]
 [ 1.23973932e-31 -1.43152766e-31  3.47894177e-09]
 [-1.62715786e-31 -4.47352395e-33 -3.61947827e-09]
 [ 1.23973932e-31 -7.15763832e-32 -3.61947827e-09]
 [-7.60865690e-46  1.88594146e-45  3.61947827e-09]
 [-4.13246441e-32  7.15763832e-32  3.61947827e-09]
 [-1.23973932e-31  1.66469427e-46  3.19448669e-10]
 [-1.23973932e-31  1.43152766e-31  3.19448669e-10]
 [-1.85960898e-31  3.57881916e-32 -3.19448669e-10]
 [-8.26492882e-32  1.43152766e-31 -3.19448669e-10]]
stress =  [-9.90868209e-11 -9.90868209e-11 -1.87044224e-10  2.44467410e-33
  4.23429976e-33 -3.73420349e-27]
energy per atom =  -7.35633645521256
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0