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_KimJungLee_2010_FeNbC__MO_072689718616_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 14:31:48      -88.085346        3.2714
BFGS:    1 14:31:48      -88.037877        2.4892
BFGS:    2 14:31:48      -88.236793        0.9902
BFGS:    3 14:31:48      -88.253959        0.6474
BFGS:    4 14:31:48      -88.262838        0.3023
BFGS:    5 14:31:48      -88.264553        0.2793
BFGS:    6 14:31:48      -88.273914        0.1139
BFGS:    7 14:31:48      -88.275180        0.0790
BFGS:    8 14:31:48      -88.276025        0.0084
BFGS:    9 14:31:48      -88.276032        0.0039
BFGS:   10 14:31:48      -88.276033        0.0040
BFGS:   11 14:31:48      -88.276034        0.0037
BFGS:   12 14:31:48      -88.276036        0.0026
BFGS:   13 14:31:48      -88.276037        0.0018
BFGS:   14 14:31:48      -88.276037        0.0005
BFGS:   15 14:31:48      -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: 3.6128912084265616e-09 eV/Angstrom
Maximum stress component: 1.8743096161673813e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[6.63051900e-36 1.41522326e-35 1.88480431e-01]
 [2.39616656e-34 0.00000000e+00 6.88480431e-01]
 [1.01240397e-34 0.00000000e+00 8.11519569e-01]
 [0.00000000e+00 0.00000000e+00 3.11519569e-01]
 [3.33333333e-01 6.66666667e-01 5.21516767e-01]
 [6.66666667e-01 3.33333333e-01 2.15167675e-02]
 [6.66666667e-01 3.33333333e-01 4.78483233e-01]
 [3.33333333e-01 6.66666667e-01 9.78483233e-01]
 [3.33333333e-01 6.66666667e-01 6.43538658e-01]
 [6.66666667e-01 3.33333333e-01 1.43538658e-01]
 [6.66666667e-01 3.33333333e-01 3.56461342e-01]
 [3.33333333e-01 6.66666667e-01 8.56461342e-01]]
cellpar =  Cell([[2.5144901014104697, -5.842454710000479e-19, -2.4166063444414798e-36], [-1.2572450507052348, 2.1776123053859764, -4.9954080927333166e-36], [-1.268505051981486e-35, -2.5588620519693675e-35, 12.348598002535889]])
forces =  [[-8.26492891e-32  7.20810669e-45 -3.47849055e-09]
 [ 3.57326624e-45  7.20808748e-45 -3.47849055e-09]
 [-2.06623223e-32  3.57881920e-32  3.47849055e-09]
 [ 6.19869668e-32 -1.07364576e-31  3.47849055e-09]
 [ 2.68610189e-31 -1.78940960e-31 -3.61289121e-09]
 [ 3.70861834e-45  1.43152768e-31 -3.61289121e-09]
 [-1.03311611e-31 -2.50517344e-31  3.61289121e-09]
 [ 1.65298578e-31  1.43152768e-31  3.61289121e-09]
 [-8.26492891e-32  1.43152768e-31  3.15115128e-10]
 [ 8.26492891e-32 -6.52997092e-46  3.15115128e-10]
 [ 1.65298578e-31 -1.43152768e-31 -3.15115128e-10]
 [-1.44636256e-31 -3.57881920e-32 -3.15115128e-10]]
stress =  [-9.89452140e-11 -9.89452140e-11 -1.87430962e-10  3.66701116e-33
 -2.11714988e-33  2.26858655e-26]
energy per atom =  -7.356336454317525
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0