element(s):
['C']
AFLOW prototype label:
A_hP2_191_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.4677', '1.6162824']
Parameter values for parameter set 1:
['2.4647', '1.3417049']
model name:
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 3.9885]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:49:58      -11.818961         0.776330
BFGS:    1 12:49:58      -11.834186         0.595250
BFGS:    2 12:49:58      -11.854424         0.054424
BFGS:    3 12:49:58      -11.854579         0.003333
BFGS:    4 12:49:58      -11.854580         0.000017
BFGS:    5 12:49:58      -11.854580         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.5859941465783589e-31 eV/Angstrom
Maximum stress component: 5.239269813587741e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 5.11259282e-57]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.4125837182422183, 1.5708118051848107e-18, -7.297846997859615e-45], [-1.2062918591211091, 2.0893587887544784, -1.7617697962109194e-40], [-2.5983493199361636e-38, 3.7119605887412928e-37, 3.988499999999999]])
forces =  [[-1.58599415e-31  1.37351122e-31 -1.15813544e-71]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.23926981e-10 -5.23926981e-10  8.60068269e-74  4.87600929e-47
 -3.41317617e-48 -2.92980848e-25]
energy per atom =  -5.927289914125387
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4647, 0, 0], [-1.23235, 2.1344928127075, 0], [0, 0, 3.3069]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:50:09      -11.822641         0.736369
BFGS:    1 12:50:09      -11.836329         0.563667
BFGS:    2 12:50:09      -11.854456         0.048346
BFGS:    3 12:50:09      -11.854579         0.002796
BFGS:    4 12:50:09      -11.854580         0.000013
BFGS:    5 12:50:09      -11.854580         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.973739024996478e-32 eV/Angstrom
Maximum stress component: 3.9666886812269904e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.95915725e-39]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.4125837183736927, 4.408342350181093e-18, -2.442615176606519e-41], [-1.2062918591868463, 2.08935878886834, -2.442615176606257e-41], [2.557087150221039e-38, 4.452446942802316e-38, 3.306899999999996]])
forces =  [[ 2.97373902e-32 -1.71688903e-32 -2.15430805e-86]
 [ 2.97373902e-32 -1.71688903e-32 -2.15430805e-86]]
stress =  [-3.96668868e-10 -3.96668868e-10  1.01468543e-75  5.34079376e-48
  3.06727408e-48  5.47086623e-26]
energy per atom =  -5.927289914125387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1