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_LeeLee_2005_C__MO_996970420049_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 10:57:05      -88.085346         3.271380
BFGS:    1 10:57:05      -88.038316         2.486035
BFGS:    2 10:57:05      -88.236797         0.988037
BFGS:    3 10:57:05      -88.254092         0.640296
BFGS:    4 10:57:05      -88.262824         0.302231
BFGS:    5 10:57:05      -88.264546         0.279422
BFGS:    6 10:57:05      -88.273872         0.112718
BFGS:    7 10:57:05      -88.275149         0.080982
BFGS:    8 10:57:05      -88.276026         0.007160
BFGS:    9 10:57:05      -88.276032         0.003922
BFGS:   10 10:57:05      -88.276033         0.004028
BFGS:   11 10:57:06      -88.276034         0.003609
BFGS:   12 10:57:06      -88.276036         0.002764
BFGS:   13 10:57:06      -88.276037         0.001813
BFGS:   14 10:57:06      -88.276037         0.000465
BFGS:   15 10:57:06      -88.276037         0.000034
BFGS:   16 10:57:06      -88.276037         0.000003
BFGS:   17 10:57:06      -88.276037         0.000000
BFGS:   18 10:57:06      -88.276037         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.953753353018841e-09 eV/Angstrom
Maximum stress component: 1.3260492381424368e-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 4.38026484e-35 1.88480430e-01]
 [7.12736572e-35 0.00000000e+00 6.88480430e-01]
 [6.48277362e-36 0.00000000e+00 8.11519570e-01]
 [0.00000000e+00 4.48321136e-35 3.11519570e-01]
 [3.33333333e-01 6.66666667e-01 5.21516765e-01]
 [6.66666667e-01 3.33333333e-01 2.15167651e-02]
 [6.66666667e-01 3.33333333e-01 4.78483235e-01]
 [3.33333333e-01 6.66666667e-01 9.78483235e-01]
 [3.33333333e-01 6.66666667e-01 6.43538661e-01]
 [6.66666667e-01 3.33333333e-01 1.43538661e-01]
 [6.66666667e-01 3.33333333e-01 3.56461339e-01]
 [3.33333333e-01 6.66666667e-01 8.56461339e-01]]
cellpar =  Cell([[2.514490061694093, -1.4910362685499162e-19, -4.407310358309701e-37], [-1.2572450308470464, 2.177612270990585, -9.02242373357499e-37], [-3.2279457058832506e-36, -8.692734384798457e-36, 12.348598171419727]])
forces =  [[ 2.94438088e-31 -8.05234307e-32 -2.47751309e-09]
 [-2.06623219e-31  7.15763828e-32 -2.47751309e-09]
 [-1.03311610e-31  7.15763828e-32  2.47751309e-09]
 [ 1.23973932e-31  7.15763828e-32  2.47751309e-09]
 [-4.13246439e-32  3.57881914e-31 -2.95375335e-09]
 [ 3.30597151e-31  2.07926041e-45 -2.95375335e-09]
 [ 1.65298576e-31 -2.14729148e-31  2.95375335e-09]
 [-3.71921795e-31 -2.07925796e-45  2.95375335e-09]
 [ 9.29804487e-32 -1.25258670e-31  1.96112043e-10]
 [ 8.26492878e-32 -2.14729148e-31  1.96112043e-10]
 [ 1.23973932e-31  7.15763828e-32 -1.96112043e-10]
 [-2.89272507e-31  1.38069253e-46 -1.96112043e-10]]
stress =  [-5.51589041e-11 -5.51589041e-11 -1.32604924e-10 -1.46680447e-32
 -8.46859954e-33 -1.62903872e-26]
energy per atom =  -7.356336453089164
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0