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 16:48:15      -88.085346         3.271380
BFGS:    1 16:48:15      -88.037877         2.489184
BFGS:    2 16:48:15      -88.236793         0.990229
BFGS:    3 16:48:15      -88.253959         0.647374
BFGS:    4 16:48:16      -88.262838         0.302288
BFGS:    5 16:48:16      -88.264553         0.279301
BFGS:    6 16:48:16      -88.273914         0.113919
BFGS:    7 16:48:16      -88.275180         0.078982
BFGS:    8 16:48:16      -88.276025         0.008356
BFGS:    9 16:48:16      -88.276032         0.003870
BFGS:   10 16:48:16      -88.276033         0.004021
BFGS:   11 16:48:16      -88.276034         0.003675
BFGS:   12 16:48:16      -88.276036         0.002602
BFGS:   13 16:48:16      -88.276037         0.001817
BFGS:   14 16:48:16      -88.276037         0.000498
BFGS:   15 16:48:16      -88.276037         0.000042
BFGS:   16 16:48:16      -88.276037         0.000003
BFGS:   17 16:48:16      -88.276037         0.000000
BFGS:   18 16:48:16      -88.276037         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.6195153541029867e-09 eV/Angstrom
Maximum stress component: 1.8705279364860663e-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]
 [4.54750972e-35 1.78671420e-35 6.88480434e-01]
 [0.00000000e+00 0.00000000e+00 8.11519566e-01]
 [1.35045967e-35 1.52883038e-35 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([[2.5144900755705106, -1.1690458190239606e-18, 1.4045840909016214e-35], [-1.2572450377852553, 2.1776122830079148, 2.672141529926734e-35], [7.791071032744399e-35, 2.252809815740292e-34, 12.348598144202185]])
forces =  [[ 4.13246441e-32 -7.15763832e-32 -3.47880925e-09]
 [ 6.19869662e-32 -3.57881916e-32 -3.47880925e-09]
 [-5.16558051e-32 -1.78940958e-32  3.47880925e-09]
 [ 2.19487667e-44  6.34654683e-44  3.47880925e-09]
 [ 9.29804492e-32 -1.78940958e-32 -3.61951535e-09]
 [-5.16558051e-32  8.94704790e-32 -3.61951535e-09]
 [-2.58279026e-31  3.04199629e-31  3.61951535e-09]
 [ 3.79670168e-31 -8.49969550e-32  3.61951535e-09]
 [ 4.13246441e-32 -1.43152766e-31  3.19259778e-10]
 [ 2.47947865e-31 -1.43152766e-31  3.19259778e-10]
 [ 1.65298576e-31 -1.43152766e-31 -3.19259778e-10]
 [ 1.98874850e-31 -6.71028592e-32 -3.19259778e-10]]
stress =  [-9.90825293e-11 -9.90825293e-11 -1.87052794e-10  1.29873312e-33
  1.32321868e-34  6.20630237e-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