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_PtC__MO_716623333967_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 14:31:49      -88.085346        3.2714
BFGS:    1 14:31:49      -88.037877        2.4892
BFGS:    2 14:31:49      -88.236793        0.9902
BFGS:    3 14:31:49      -88.253959        0.6474
BFGS:    4 14:31:49      -88.262838        0.3023
BFGS:    5 14:31:49      -88.264553        0.2793
BFGS:    6 14:31:49      -88.273914        0.1139
BFGS:    7 14:31:49      -88.275180        0.0790
BFGS:    8 14:31:49      -88.276024        0.0084
BFGS:    9 14:31:49      -88.276032        0.0039
BFGS:   10 14:31:49      -88.276033        0.0040
BFGS:   11 14:31:49      -88.276034        0.0037
BFGS:   12 14:31:49      -88.276036        0.0026
BFGS:   13 14:31:49      -88.276037        0.0018
BFGS:   14 14:31:49      -88.276037        0.0005
BFGS:   15 14:31:49      -88.276037        0.0000
BFGS:   16 14:31:49      -88.276037        0.0000
BFGS:   17 14:31:49      -88.276037        0.0000
BFGS:   18 14:31:49      -88.276037        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.617268151678843e-09 eV/Angstrom
Maximum stress component: 1.8714974208647818e-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 0.00000000e+00 1.88480432e-01]
 [0.00000000e+00 0.00000000e+00 6.88480432e-01]
 [5.69594455e-36 6.61503694e-35 8.11519568e-01]
 [4.43204284e-35 1.94508662e-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, -3.5333478316614646e-19, 8.227135932767328e-36], [-1.257245036104547, 2.177612280096842, 1.5975961576867714e-35], [4.414673544537719e-35, 1.2754576405959128e-34, 12.348598162224247]])
forces =  [[-2.06623220e-32 -3.22093724e-31 -3.47839224e-09]
 [ 4.13246441e-31 -2.86305532e-31 -3.47839224e-09]
 [ 1.65298576e-31 -1.43152766e-31  3.47839224e-09]
 [ 5.03644099e-32  1.99071816e-31  3.47839224e-09]
 [ 2.89272508e-31  7.15763831e-32 -3.61726815e-09]
 [ 5.16558051e-33  6.26293352e-32 -3.61726815e-09]
 [-1.23973932e-31  7.15763831e-32  3.61726815e-09]
 [ 4.13246441e-32 -1.43152766e-31  3.61726815e-09]
 [ 1.23973932e-31  7.15763831e-32  3.17028348e-10]
 [-2.06623220e-31  7.15763831e-32  3.17028348e-10]
 [-1.44636254e-31  3.57881916e-32 -3.17028348e-10]
 [ 1.18808352e-31 -6.26293352e-32 -3.17028348e-10]]
stress =  [-9.89978418e-11 -9.89978418e-11 -1.87149742e-10 -1.22233705e-33
  2.11714988e-33  1.58341573e-26]
energy per atom =  -7.356336453843344
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0