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:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== 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 16:48:45      -88.085346         3.271380
BFGS:    1 16:48:45      -88.037877         2.489184
BFGS:    2 16:48:45      -88.236793         0.990229
BFGS:    3 16:48:45      -88.253959         0.647372
BFGS:    4 16:48:45      -88.262838         0.302288
BFGS:    5 16:48:45      -88.264553         0.279301
BFGS:    6 16:48:45      -88.273914         0.113905
BFGS:    7 16:48:45      -88.275180         0.078985
BFGS:    8 16:48:45      -88.276024         0.008351
BFGS:    9 16:48:45      -88.276032         0.003870
BFGS:   10 16:48:45      -88.276033         0.004021
BFGS:   11 16:48:45      -88.276034         0.003675
BFGS:   12 16:48:45      -88.276036         0.002602
BFGS:   13 16:48:45      -88.276037         0.001817
BFGS:   14 16:48:45      -88.276037         0.000498
BFGS:   15 16:48:45      -88.276037         0.000042
BFGS:   16 16:48:45      -88.276037         0.000003
BFGS:   17 16:48:45      -88.276037         0.000000
BFGS:   18 16:48:45      -88.276037         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.617309007886149e-09 eV/Angstrom
Maximum stress component: 1.87148257756292e-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 3.73647027e-35 1.88480432e-01]
 [0.00000000e+00 0.00000000e+00 6.88480432e-01]
 [3.70669242e-35 8.83743957e-36 8.11519568e-01]
 [0.00000000e+00 1.00744898e-35 3.11519568e-01]
 [3.33333333e-01 6.66666667e-01 5.21516766e-01]
 [6.66666667e-01 3.33333333e-01 2.15167657e-02]
 [6.66666667e-01 3.33333333e-01 4.78483234e-01]
 [3.33333333e-01 6.66666667e-01 9.78483234e-01]
 [3.33333333e-01 6.66666667e-01 6.43538662e-01]
 [6.66666667e-01 3.33333333e-01 1.43538662e-01]
 [6.66666667e-01 3.33333333e-01 3.56461338e-01]
 [3.33333333e-01 6.66666667e-01 8.56461338e-01]]
cellpar =  Cell([[2.514490072209094, -3.764431593503467e-19, 3.045810805245521e-36], [-1.257245036104547, 2.177612280096842, 6.1055171846807e-36], [1.579670099228392e-35, 4.207032523554107e-35, 12.348598162224249]])
forces =  [[ 1.85960898e-31  3.57881916e-32 -3.47839588e-09]
 [-4.44966943e-45 -1.18505149e-44 -3.47839588e-09]
 [-3.22848782e-34  5.59190493e-34  3.47839588e-09]
 [ 2.06623220e-32 -3.57881916e-32  3.47839588e-09]
 [-4.61819539e-45  2.86305532e-31 -3.61730901e-09]
 [ 4.54571085e-31 -7.15763831e-32 -3.61730901e-09]
 [ 4.13246441e-31 -2.86305532e-31  3.61730901e-09]
 [-4.13246441e-31  7.15763831e-32  3.61730901e-09]
 [-5.99691612e-32 -3.92831321e-32  3.16992183e-10]
 [-2.27285542e-31  1.07364575e-31  3.16992183e-10]
 [ 1.23973932e-31 -7.15763831e-32 -3.16992183e-10]
 [ 6.19869661e-32 -1.07364575e-31 -3.16992183e-10]]
stress =  [-9.89990372e-11 -9.89990372e-11 -1.87148258e-10  4.93979990e-43
  1.71129080e-43 -1.20947095e-27]
energy per atom =  -7.35633645384334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0