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:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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 15:24:23      -29.003900        0.8317
BFGS:    1 15:24:23      -29.013376        0.6949
BFGS:    2 15:24:23      -29.033335        0.0880
BFGS:    3 15:24:23      -29.033604        0.0568
BFGS:    4 15:24:23      -29.033668        0.0172
BFGS:    5 15:24:23      -29.033676        0.0134
BFGS:    6 15:24:23      -29.033691        0.0038
BFGS:    7 15:24:23      -29.033692        0.0008
BFGS:    8 15:24:23      -29.033692        0.0000
BFGS:    9 15:24:23      -29.033692        0.0000
BFGS:   10 15:24:23      -29.033692        0.0000
BFGS:   11 15:24:23      -29.033692        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.1738267844708944e-10 eV/Angstrom
Maximum stress component: 7.4672996592631e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06250578]
 [0.66666666 0.33333334 0.56250578]
 [0.66666666 0.33333334 0.93749422]
 [0.33333333 0.66666667 0.43749422]]
cellpar =  Cell([[2.517124687659073, 2.2729799906752288e-20, -7.117207512702841e-37], [-1.2585623438295366, 2.1798939240057273, -2.8564319579529947e-36], [6.629450913183596e-39, 3.20658616969215e-36, 4.110592712693409]])
forces =  [[-3.30943543e-31  9.15647488e-47  1.17382678e-10]
 [ 1.89311557e-49  9.15677372e-47  1.17382678e-10]
 [ 3.30943543e-31 -9.15647488e-47 -1.17382678e-10]
 [-1.89311557e-49 -9.15677372e-47 -1.17382678e-10]]
stress =  [-3.35553137e-13 -3.35553137e-13 -7.46729966e-11  1.83408470e-33
  3.17672788e-33  8.49922402e-29]
energy per atom =  -7.258422976285998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0