element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:31:37      -29.468972         0.697265
BFGS:    1 14:31:37      -29.475984         0.574437
BFGS:    2 14:31:37      -29.492672         0.069796
BFGS:    3 14:31:37      -29.492761         0.002228
BFGS:    4 14:31:37      -29.492761         0.001770
BFGS:    5 14:31:37      -29.492761         0.000817
BFGS:    6 14:31:37      -29.492761         0.000480
BFGS:    7 14:31:37      -29.492761         0.000098
BFGS:    8 14:31:37      -29.492761         0.000006
BFGS:    9 14:31:37      -29.492761         0.000000
BFGS:   10 14:31:37      -29.492761         0.000000
BFGS:   11 14:31:37      -29.492761         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.727252948316353e-10 eV/Angstrom
Maximum stress component: 6.515402109851959e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.521344685483947, 1.4663535869515525e-18, -2.410807307280591e-37], [-1.2606723427419735, 2.183548549325984, -1.374382988381392e-39], [-8.001587452812261e-37, 4.604834937601983e-37, 4.117338630100136]])
forces =  [[ 1.65749188e-30 -1.14834406e-30 -4.72725295e-10]
 [-3.72935672e-31  6.45943532e-31 -4.72725295e-10]
 [-9.94495125e-31  5.22912617e-47  4.72725295e-10]
 [ 1.69892917e-30 -6.45943532e-31  4.72725295e-10]]
stress =  [ 3.16592991e-11  3.16592991e-11  6.51540211e-11 -1.34244852e-33
  8.41025825e-34  1.42832267e-27]
energy per atom =  -7.3731903311880105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0