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_KimLee_2008_TiC__MO_134206624109_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         2.489185
BFGS:    2 16:48:46      -88.236793         0.990229
BFGS:    3 16:48:46      -88.253959         0.647370
BFGS:    4 16:48:46      -88.262838         0.302287
BFGS:    5 16:48:46      -88.264553         0.279300
BFGS:    6 16:48:46      -88.273914         0.113912
BFGS:    7 16:48:46      -88.275180         0.078984
BFGS:    8 16:48:46      -88.276025         0.008353
BFGS:    9 16:48:46      -88.276032         0.003870
BFGS:   10 16:48:46      -88.276033         0.004020
BFGS:   11 16:48:46      -88.276034         0.003674
BFGS:   12 16:48:46      -88.276036         0.002601
BFGS:   13 16:48:46      -88.276037         0.001816
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: 3.612823595844362e-09 eV/Angstrom
Maximum stress component: 1.8742652176189036e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.69588934e-35 3.50252164e-35 1.88480431e-01]
 [1.37328601e-34 3.51491809e-35 6.88480431e-01]
 [1.74273619e-35 0.00000000e+00 8.11519569e-01]
 [0.00000000e+00 0.00000000e+00 3.11519569e-01]
 [3.33333333e-01 6.66666667e-01 5.21516767e-01]
 [6.66666667e-01 3.33333333e-01 2.15167675e-02]
 [6.66666667e-01 3.33333333e-01 4.78483233e-01]
 [3.33333333e-01 6.66666667e-01 9.78483233e-01]
 [3.33333333e-01 6.66666667e-01 6.43538658e-01]
 [6.66666667e-01 3.33333333e-01 1.43538658e-01]
 [6.66666667e-01 3.33333333e-01 3.56461342e-01]
 [3.33333333e-01 6.66666667e-01 8.56461342e-01]]
cellpar =  Cell([[2.5144901014104684, -5.439689737201779e-19, -3.806580525146559e-36], [-1.2572450507052342, 2.177612305385975, -8.349855384360368e-36], [-2.2012946217662533e-35, -6.368733165074786e-35, 12.348598002535889]])
forces =  [[-1.23973934e-31  2.14729152e-31 -3.47859891e-09]
 [ 3.82252962e-31  8.94704799e-32 -3.47859891e-09]
 [ 1.85960900e-31 -2.50517344e-31  3.47859891e-09]
 [-1.85960900e-31  3.57881920e-32  3.47859891e-09]
 [ 2.47947867e-31  1.43152768e-31 -3.61282360e-09]
 [-6.19869668e-31  7.87340223e-31 -3.61282360e-09]
 [-9.91791469e-31  5.72611071e-31  3.61282360e-09]
 [ 4.13246445e-32 -3.57881920e-31  3.61282360e-09]
 [ 2.06623223e-32 -2.50517344e-31  3.15217130e-10]
 [-6.19869668e-31  2.14729152e-31  3.15217130e-10]
 [-1.44636256e-31  2.50517344e-31 -3.15217130e-10]
 [-1.44636256e-31  2.50517344e-31 -3.15217130e-10]]
stress =  [-9.89515403e-11 -9.89515403e-11 -1.87426522e-10 -1.50882230e-33
 -2.61335688e-33 -5.91202784e-28]
energy per atom =  -7.356336454317526
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0