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_JeongLee_2020_PdC__MO_068985622065_002
==== 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 16:49:50     -117.554669         3.320143
BFGS:    1 16:49:50     -117.509769         2.510560
BFGS:    2 16:49:50     -117.708724         1.000451
BFGS:    3 16:49:50     -117.725865         0.637953
BFGS:    4 16:49:50     -117.734614         0.278197
BFGS:    5 16:49:50     -117.736383         0.263158
BFGS:    6 16:49:51     -117.747732         0.107828
BFGS:    7 16:49:51     -117.749752         0.092318
BFGS:    8 16:49:51     -117.751703         0.045032
BFGS:    9 16:49:51     -117.752217         0.020692
BFGS:   10 16:49:51     -117.752285         0.004203
BFGS:   11 16:49:51     -117.752288         0.002041
BFGS:   12 16:49:51     -117.752288         0.002001
BFGS:   13 16:49:51     -117.752288         0.001768
BFGS:   14 16:49:51     -117.752289         0.001450
BFGS:   15 16:49:51     -117.752289         0.001520
BFGS:   16 16:49:51     -117.752290         0.000774
BFGS:   17 16:49:51     -117.752290         0.000151
BFGS:   18 16:49:51     -117.752290         0.000013
BFGS:   19 16:49:51     -117.752290         0.000001
BFGS:   20 16:49:51     -117.752290         0.000000
BFGS:   21 16:49:51     -117.752290         0.000000
BFGS:   22 16:49:51     -117.752290         0.000000
BFGS:   23 16:49:51     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.175035956370919e-09 eV/Angstrom
Maximum stress component: 5.4254947965710494e-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 =  [[5.14144153e-36 0.00000000e+00 4.63908567e-02]
 [2.92965024e-35 5.15237623e-35 5.46390857e-01]
 [0.00000000e+00 0.00000000e+00 9.53609143e-01]
 [0.00000000e+00 1.49725673e-35 4.53609143e-01]
 [3.33333333e-01 6.66666667e-01 7.82933782e-02]
 [6.66666667e-01 3.33333333e-01 5.78293378e-01]
 [6.66666667e-01 3.33333333e-01 9.21706622e-01]
 [3.33333333e-01 6.66666667e-01 4.21706622e-01]
 [3.33333333e-01 6.66666667e-01 1.70105237e-01]
 [6.66666667e-01 3.33333333e-01 6.70105237e-01]
 [6.66666667e-01 3.33333333e-01 8.29894763e-01]
 [3.33333333e-01 6.66666667e-01 3.29894763e-01]
 [3.33333333e-01 6.66666667e-01 7.96212283e-01]
 [6.66666667e-01 3.33333333e-01 2.96212283e-01]
 [6.66666667e-01 3.33333333e-01 2.03787717e-01]
 [3.33333333e-01 6.66666667e-01 7.03787717e-01]]
cellpar =  Cell([[2.5146498072610277, 2.6730252118367086e-18, -8.713282615050203e-34], [-1.2573249036305139, 2.1777506147096917, -1.7426344291122612e-33], [-5.72246607750925e-33, -1.6487947111545393e-32, 16.45461024682713]])
forces =  [[ 3.61613606e-31 -1.96847558e-31  2.74978101e-09]
 [-3.30618154e-31  2.14742790e-31  2.74978101e-09]
 [-3.30618154e-31  2.75535169e-42 -2.74978101e-09]
 [-8.26545385e-32  7.15809301e-32 -2.74978101e-09]
 [-8.26545385e-32  3.18146846e-42 -3.17503596e-09]
 [-1.23981808e-31 -7.15809300e-32 -3.17503596e-09]
 [ 6.45738582e-33  1.31977340e-31  3.17503596e-09]
 [-6.19909039e-32  7.15809300e-32  3.17503596e-09]
 [-3.30618154e-31  2.86323720e-31  5.74667203e-10]
 [ 6.04411313e-31 -1.87899941e-31  5.74667203e-10]
 [ 4.95927231e-31 -5.72647440e-31 -5.74667203e-10]
 [-2.68627250e-31  1.78952325e-31 -5.74667203e-10]
 [-2.47963615e-31 -1.43161860e-31 -2.42603541e-10]
 [ 2.11802255e-31 -2.23690406e-31 -2.42603541e-10]
 [ 2.47963615e-31  1.43161860e-31  2.42603541e-10]
 [ 4.95927231e-31 -2.86323720e-31  2.42603541e-10]]
stress =  [ 1.42503127e-11  1.42503127e-11  5.42549480e-11 -4.58630921e-34
 -7.94372232e-34 -4.46348582e-28]
energy per atom =  -7.359518115136057
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0