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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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 10:52:44      -88.312033         0.392094
BFGS:    1 10:52:45      -88.322933         0.376503
BFGS:    2 10:52:46      -88.329497         0.326490
BFGS:    3 10:52:47      -88.331859         0.296789
BFGS:    4 10:52:48      -88.342167         0.151105
BFGS:    5 10:52:48      -88.344135         0.064706
BFGS:    6 10:52:49      -88.344241         0.016891
BFGS:    7 10:52:50      -88.344252         0.010097
BFGS:    8 10:52:50      -88.344256         0.009612
BFGS:    9 10:52:51      -88.344272         0.006943
BFGS:   10 10:52:52      -88.344278         0.006038
BFGS:   11 10:52:53      -88.344280         0.001629
BFGS:   12 10:52:53      -88.344280         0.000167
BFGS:   13 10:52:54      -88.344280         0.000005
BFGS:   14 10:52:55      -88.344280         0.000000
BFGS:   15 10:52:55      -88.344280         0.000000
Minimization converged after 15 steps.
Maximum force component: 7.583802474897537e-09 eV/Angstrom
Maximum stress component: 2.6331906734464634e-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 1.87498337e-01]
 [1.10058988e-35 5.12271982e-36 6.87498337e-01]
 [0.00000000e+00 0.00000000e+00 8.12501663e-01]
 [0.00000000e+00 0.00000000e+00 3.12501663e-01]
 [3.33333333e-01 6.66666667e-01 5.20832637e-01]
 [6.66666667e-01 3.33333333e-01 2.08326370e-02]
 [6.66666667e-01 3.33333333e-01 4.79167363e-01]
 [3.33333333e-01 6.66666667e-01 9.79167363e-01]
 [3.33333333e-01 6.66666667e-01 6.45829060e-01]
 [6.66666667e-01 3.33333333e-01 1.45829060e-01]
 [6.66666667e-01 3.33333333e-01 3.54170940e-01]
 [3.33333333e-01 6.66666667e-01 8.54170940e-01]]
cellpar =  Cell([[2.5170293514543602, -1.3718053356115558e-19, -2.474005990743534e-38], [-1.2585146757271801, 2.179811360430545, -7.29658249814724e-38], [-2.4428396434785453e-37, -5.635979011761023e-37, 12.331018580001725]])
forces =  [[ 3.30931009e-31 -3.46641077e-46  7.58380247e-09]
 [ 4.96396513e-31 -5.73189321e-31  7.58380247e-09]
 [ 2.89564633e-31 -7.16486651e-32 -7.58380247e-09]
 [-3.30931009e-31  2.86594661e-31 -7.58380247e-09]
 [-9.92793026e-31  4.29891991e-31  5.90284857e-10]
 [-1.16938535e-47 -2.69793857e-47  5.90284857e-10]
 [ 1.65465504e-31 -4.29891991e-31 -5.90284857e-10]
 [-3.30931009e-31  5.73189321e-31 -5.90284857e-10]
 [ 1.65465504e-31  1.43297330e-31 -3.29084276e-09]
 [ 2.48198257e-31 -1.43297330e-31 -3.29084276e-09]
 [-1.65465504e-31 -1.50401272e-46  3.29084276e-09]
 [ 1.24099128e-31  7.16486651e-32  3.29084276e-09]]
stress =  [-5.78117916e-11 -5.78117916e-11 -2.63319067e-10  8.55991334e-33
  6.35408778e-33 -5.33255662e-27]
energy per atom =  -7.362023327585931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0