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 14:31:49      -88.085346        3.2714
BFGS:    1 14:31:49      -88.037877        2.4892
BFGS:    2 14:31:49      -88.236793        0.9902
BFGS:    3 14:31:49      -88.253959        0.6474
BFGS:    4 14:31:49      -88.262838        0.3023
BFGS:    5 14:31:49      -88.264553        0.2793
BFGS:    6 14:31:49      -88.273914        0.1139
BFGS:    7 14:31:49      -88.275180        0.0790
BFGS:    8 14:31:49      -88.276025        0.0084
BFGS:    9 14:31:49      -88.276032        0.0039
BFGS:   10 14:31:49      -88.276033        0.0040
BFGS:   11 14:31:49      -88.276034        0.0037
BFGS:   12 14:31:49      -88.276036        0.0026
BFGS:   13 14:31:49      -88.276037        0.0018
BFGS:   14 14:31:49      -88.276037        0.0005
BFGS:   15 14:31:49      -88.276037        0.0000
BFGS:   16 14:31:49      -88.276037        0.0000
BFGS:   17 14:31:49      -88.276037        0.0000
BFGS:   18 14:31:49      -88.276037        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.6193860131206183e-09 eV/Angstrom
Maximum stress component: 1.8705464620994474e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.69351345e-35 0.00000000e+00 1.88480434e-01]
 [0.00000000e+00 3.91222887e-35 6.88480434e-01]
 [0.00000000e+00 1.23540218e-34 8.11519566e-01]
 [1.86048235e-35 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([[2.5144900755704844, 9.791995570054035e-20, -2.2779168630918192e-35], [-1.2572450377852422, 2.1776122830078926, -4.507646011200293e-35], [-1.1669684918269308e-34, -3.4244798266049314e-34, 12.348598144202157]])
forces =  [[ 3.09934831e-32  2.32623245e-31 -3.47883677e-09]
 [-1.54967415e-31  1.96835054e-31 -3.47883677e-09]
 [ 4.13246441e-32  7.15763832e-32  3.47883677e-09]
 [-2.63444606e-31 -1.16311623e-31  3.47883677e-09]
 [ 4.13246441e-32 -7.15763832e-32 -3.61938601e-09]
 [-3.51259475e-31  2.50517341e-31 -3.61938601e-09]
 [-4.13246441e-32  7.15763832e-32  3.61938601e-09]
 [ 1.85960898e-31 -2.50517341e-31  3.61938601e-09]
 [-2.55696235e-31  2.28149721e-31  3.19363244e-10]
 [ 3.60218529e-31 -1.22882111e-31  3.19363244e-10]
 [ 4.80398988e-31 -4.02617155e-31 -3.19363244e-10]
 [-4.54571085e-31  2.14729150e-31 -3.19363244e-10]]
stress =  [-9.90767797e-11 -9.90767797e-11 -1.87054646e-10 -2.44467411e-33
 -1.25759331e-42  3.56341081e-26]
energy per atom =  -7.356336455212563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0