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 17:47:40      -88.312033         0.392094
BFGS:    1 17:47:40      -88.322933         0.376503
BFGS:    2 17:47:41      -88.329497         0.326490
BFGS:    3 17:47:41      -88.331859         0.296789
BFGS:    4 17:47:42      -88.342167         0.151105
BFGS:    5 17:47:42      -88.344135         0.064706
BFGS:    6 17:47:43      -88.344241         0.016891
BFGS:    7 17:47:43      -88.344252         0.010097
BFGS:    8 17:47:44      -88.344256         0.009612
BFGS:    9 17:47:44      -88.344272         0.006943
BFGS:   10 17:47:45      -88.344278         0.006038
BFGS:   11 17:47:45      -88.344280         0.001629
BFGS:   12 17:47:45      -88.344280         0.000167
BFGS:   13 17:47:46      -88.344280         0.000005
BFGS:   14 17:47:46      -88.344280         0.000000
BFGS:   15 17:47:46      -88.344280         0.000000
Minimization converged after 15 steps.
Maximum force component: 7.58374035791931e-09 eV/Angstrom
Maximum stress component: 2.633218752131933e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.32876779e-36 7.29193737e-35 1.87498337e-01]
 [5.48188461e-36 0.00000000e+00 6.87498337e-01]
 [2.42142270e-35 0.00000000e+00 8.12501663e-01]
 [0.00000000e+00 2.71558516e-35 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([[2.517029351454359, -6.332537439138034e-19, -3.4274056456131293e-38], [-1.2585146757271795, 2.179811360430545, -7.435049876358419e-38], [-1.58682486788442e-37, 1.8220968987407269e-37, 12.331018580001725]])
forces =  [[-1.65465504e-31  1.12103011e-46  7.58374036e-09]
 [ 7.85961146e-31  3.58243326e-31  7.58374036e-09]
 [-8.27327522e-31  8.59783982e-31 -7.58374036e-09]
 [-2.71466843e-31  4.70194365e-31 -7.58374036e-09]
 [ 2.15105156e-30 -8.59783982e-31  5.90067539e-10]
 [-1.19962491e-30  3.58243326e-31  5.90067539e-10]
 [-1.82012055e-30  8.59783982e-31 -5.90067539e-10]
 [-1.11689215e-30 -9.31432647e-31 -5.90067539e-10]
 [ 4.13663761e-32  7.88135316e-31 -3.29083444e-09]
 [ 1.65465504e-31  5.73189321e-31 -3.29083444e-09]
 [ 5.58446077e-31 -6.80662319e-31  3.29083444e-09]
 [-3.30931009e-31  4.87103784e-47  3.29083444e-09]]
stress =  [-5.78115704e-11 -5.78115704e-11 -2.63321875e-10  2.10176444e-34
  3.64036279e-34  6.88412302e-27]
energy per atom =  -7.362023327585938
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0