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_KimJungLee_2009_FeTiC__MO_110119204723_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 16:48:46      -88.085346         3.271380
BFGS:    1 16:48:46      -88.037877         2.489184
BFGS:    2 16:48:46      -88.236793         0.990229
BFGS:    3 16:48:46      -88.253959         0.647374
BFGS:    4 16:48:46      -88.262838         0.302288
BFGS:    5 16:48:46      -88.264553         0.279301
BFGS:    6 16:48:46      -88.273914         0.113919
BFGS:    7 16:48:46      -88.275180         0.078982
BFGS:    8 16:48:46      -88.276025         0.008356
BFGS:    9 16:48:46      -88.276032         0.003870
BFGS:   10 16:48:46      -88.276033         0.004021
BFGS:   11 16:48:46      -88.276034         0.003675
BFGS:   12 16:48:46      -88.276036         0.002602
BFGS:   13 16:48:46      -88.276037         0.001817
BFGS:   14 16:48:46      -88.276037         0.000498
BFGS:   15 16:48:46      -88.276037         0.000042
BFGS:   16 16:48:46      -88.276037         0.000003
BFGS:   17 16:48:46      -88.276037         0.000000
BFGS:   18 16:48:46      -88.276037         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.6193982255738904e-09 eV/Angstrom
Maximum stress component: 1.8705524388271824e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 1.88480434e-01]
 [0.00000000e+00 0.00000000e+00 6.88480434e-01]
 [4.20544870e-36 0.00000000e+00 8.11519566e-01]
 [1.86652251e-34 0.00000000e+00 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([[2.514490075570483, -6.446343020051456e-19, 2.2096038234233128e-36], [-1.2572450377852415, 2.1776122830078926, 4.428122269678387e-36], [1.1217663545105622e-35, 3.375083936114295e-35, 12.348598144202155]])
forces =  [[ 1.23973932e-31 -1.43152766e-31 -3.47885094e-09]
 [-8.26492882e-32 -9.50827585e-45 -3.47885094e-09]
 [-7.23181272e-32  5.36822874e-32  3.47885094e-09]
 [ 8.26492882e-32  9.50827585e-45  3.47885094e-09]
 [-1.23973932e-31  2.14729150e-31 -3.61939823e-09]
 [-2.89272509e-31  7.15763832e-32 -3.61939823e-09]
 [-1.23973932e-31  7.15763832e-32  3.61939823e-09]
 [ 2.06623221e-31  7.15763832e-32  3.61939823e-09]
 [-1.44636254e-31 -3.57881916e-32  3.19359650e-10]
 [-5.16558051e-33 -6.26293353e-32  3.19359650e-10]
 [ 8.26492882e-32 -8.72885955e-46 -3.19359650e-10]
 [ 2.58279026e-32  6.26293353e-32 -3.19359650e-10]]
stress =  [-9.90796911e-11 -9.90796911e-11 -1.87055244e-10  4.27817968e-33
  1.20646877e-43  1.96398498e-26]
energy per atom =  -7.356336455212561
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0