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_LeeLee_2005_C__MO_996970420049_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 01:15:48     -117.554669         3.320143
BFGS:    1 01:15:48     -117.510223         2.507389
BFGS:    2 01:15:48     -117.708734         0.998422
BFGS:    3 01:15:48     -117.725991         0.631403
BFGS:    4 01:15:48     -117.734602         0.278159
BFGS:    5 01:15:48     -117.736378         0.263239
BFGS:    6 01:15:48     -117.747698         0.108270
BFGS:    7 01:15:49     -117.749709         0.093964
BFGS:    8 01:15:49     -117.751716         0.045131
BFGS:    9 01:15:49     -117.752217         0.020849
BFGS:   10 01:15:49     -117.752285         0.004187
BFGS:   11 01:15:49     -117.752288         0.002044
BFGS:   12 01:15:49     -117.752288         0.001995
BFGS:   13 01:15:49     -117.752288         0.001760
BFGS:   14 01:15:49     -117.752289         0.001462
BFGS:   15 01:15:49     -117.752289         0.001527
BFGS:   16 01:15:49     -117.752290         0.000775
BFGS:   17 01:15:49     -117.752290         0.000151
BFGS:   18 01:15:49     -117.752290         0.000013
BFGS:   19 01:15:49     -117.752290         0.000001
BFGS:   20 01:15:50     -117.752290         0.000000
BFGS:   21 01:15:50     -117.752290         0.000000
BFGS:   22 01:15:50     -117.752290         0.000000
BFGS:   23 01:15:50     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.1274866030273074e-09 eV/Angstrom
Maximum stress component: 5.53381723641033e-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 =  [[0.00000000e+00 0.00000000e+00 4.63908543e-02]
 [1.90185472e-35 0.00000000e+00 5.46390854e-01]
 [2.47505382e-35 6.22389593e-36 9.53609146e-01]
 [2.65955836e-38 2.19188835e-35 4.53609146e-01]
 [3.33333333e-01 6.66666667e-01 7.82933812e-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 7.96212280e-01]
 [6.66666667e-01 3.33333333e-01 2.96212280e-01]
 [6.66666667e-01 3.33333333e-01 2.03787720e-01]
 [3.33333333e-01 6.66666667e-01 7.03787720e-01]]
cellpar =  Cell([[2.514649848415496, -9.789388036126124e-19, 4.020052591454832e-34], [-1.257324924207748, 2.1777506503505064, 8.0400588937432e-34], [2.6481055658984702e-33, 7.629036597095015e-33, 16.454609923352404]])
forces =  [[-1.65309080e-31 -1.43161862e-31  2.69156908e-09]
 [ 4.13272699e-31 -2.86323725e-31  2.69156908e-09]
 [ 4.13272699e-31 -4.29485587e-31 -2.69156908e-09]
 [-5.37254509e-31  7.15809312e-32 -2.69156908e-09]
 [-4.13272699e-32 -1.45003191e-42 -3.12748660e-09]
 [ 2.06636350e-31 -7.15809312e-32 -3.12748660e-09]
 [ 5.03317871e-43 -1.43161862e-31  3.12748660e-09]
 [ 1.65309080e-31  1.45003186e-42  3.12748660e-09]
 [-4.68160479e-31  8.10877737e-31  5.56353297e-10]
 [ 9.60859025e-31 -2.32638026e-31  5.56353297e-10]
 [ 6.30240866e-31 -1.09160920e-30 -5.56353297e-10]
 [-9.60859025e-31  2.32638026e-31 -5.56353297e-10]
 [ 4.75263604e-31 -3.93695122e-31 -2.66684855e-10]
 [-4.33936334e-31  4.65276053e-31 -2.66684855e-10]
 [-1.44645445e-31  3.93695122e-31  2.66684855e-10]
 [ 8.26545398e-32  1.43161862e-31  2.66684855e-10]]
stress =  [ 1.41402691e-11  1.41402691e-11  5.53381724e-11  1.46761935e-32
 -2.07563507e-41  4.67216765e-27]
energy per atom =  -7.3595181148131354
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.