element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:51     -117.554669         3.320143
BFGS:    1 15:27:51     -117.509769         2.510560
BFGS:    2 15:27:51     -117.708724         1.000450
BFGS:    3 15:27:51     -117.725865         0.637951
BFGS:    4 15:27:51     -117.734614         0.278197
BFGS:    5 15:27:51     -117.736383         0.263158
BFGS:    6 15:27:51     -117.747732         0.107828
BFGS:    7 15:27:51     -117.749752         0.092318
BFGS:    8 15:27:51     -117.751703         0.045029
BFGS:    9 15:27:51     -117.752217         0.020691
BFGS:   10 15:27:51     -117.752285         0.004203
BFGS:   11 15:27:51     -117.752288         0.002041
BFGS:   12 15:27:51     -117.752288         0.002001
BFGS:   13 15:27:51     -117.752288         0.001768
BFGS:   14 15:27:51     -117.752289         0.001450
BFGS:   15 15:27:51     -117.752289         0.001519
BFGS:   16 15:27:51     -117.752290         0.000774
BFGS:   17 15:27:51     -117.752290         0.000151
BFGS:   18 15:27:51     -117.752290         0.000013
BFGS:   19 15:27:51     -117.752290         0.000001
BFGS:   20 15:27:51     -117.752290         0.000000
BFGS:   21 15:27:51     -117.752290         0.000000
BFGS:   22 15:27:51     -117.752290         0.000000
BFGS:   23 15:27:52     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.1745115425252375e-09 eV/Angstrom
Maximum stress component: 5.4231109268252324e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.46366314e-35 0.00000000e+00 4.63908551e-02]
 [0.00000000e+00 2.43230535e-35 5.46390855e-01]
 [0.00000000e+00 5.50937724e-35 9.53609145e-01]
 [9.49445116e-35 0.00000000e+00 4.53609145e-01]
 [3.33333333e-01 6.66666667e-01 7.82933806e-02]
 [6.66666667e-01 3.33333333e-01 5.78293381e-01]
 [6.66666667e-01 3.33333333e-01 9.21706619e-01]
 [3.33333333e-01 6.66666667e-01 4.21706619e-01]
 [3.33333333e-01 6.66666667e-01 1.70105235e-01]
 [6.66666667e-01 3.33333333e-01 6.70105235e-01]
 [6.66666667e-01 3.33333333e-01 8.29894765e-01]
 [3.33333333e-01 6.66666667e-01 3.29894765e-01]
 [3.33333333e-01 6.66666667e-01 7.96212281e-01]
 [6.66666667e-01 3.33333333e-01 2.96212281e-01]
 [6.66666667e-01 3.33333333e-01 2.03787719e-01]
 [3.33333333e-01 6.66666667e-01 7.03787719e-01]]
cellpar =  Cell([[2.514649841723858, 3.1333582561662446e-19, -1.890980471421268e-34], [-1.257324920861929, 2.177750644555379, -3.781927284119211e-34], [-1.2436064884602356e-33, -3.5872746627290616e-33, 16.45460995355612]])
forces =  [[-4.13272698e-32 -3.57904655e-32  2.74854028e-09]
 [-6.19909047e-32  7.15809310e-32  2.74854028e-09]
 [-1.03318175e-31  5.99210114e-43 -2.74854028e-09]
 [-6.19909047e-32  3.57904655e-32 -2.74854028e-09]
 [ 4.13272698e-32 -7.15809310e-32 -3.17451154e-09]
 [-2.06636349e-31 -1.43161862e-31 -3.17451154e-09]
 [ 7.23227222e-32  1.78952328e-32  3.17451154e-09]
 [ 1.00735220e-31 -3.13166573e-32  3.17451154e-09]
 [-2.06636349e-32  3.57904655e-32  5.74579384e-10]
 [ 1.23981809e-31 -7.15809310e-32  5.74579384e-10]
 [ 1.23981809e-31 -7.15809310e-32 -5.74579384e-10]
 [ 4.34255599e-44  1.25264231e-43 -5.74579384e-10]
 [-4.13272698e-32  7.15809310e-32 -2.43244910e-10]
 [-5.16590873e-32  1.61057095e-31 -2.43244910e-10]
 [-9.29863571e-32 -5.36856983e-32  2.43244910e-10]
 [-1.54977262e-32  8.94761638e-33  2.43244910e-10]]
stress =  [1.42260677e-11 1.42260677e-11 5.42311093e-11 5.50357262e-33
 3.17748913e-33 4.26477332e-27]
energy per atom =  -7.359518115207491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0