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_Lee_2006_FeC__MO_856956178669_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 16:48:46      -88.085346         3.271380
BFGS:    1 16:48:46      -88.037877         2.489183
BFGS:    2 16:48:46      -88.236793         0.990229
BFGS:    3 16:48:46      -88.253959         0.647372
BFGS:    4 16:48:46      -88.262838         0.302287
BFGS:    5 16:48:46      -88.264552         0.279301
BFGS:    6 16:48:46      -88.273914         0.113912
BFGS:    7 16:48:46      -88.275180         0.078984
BFGS:    8 16:48:46      -88.276024         0.008355
BFGS:    9 16:48:46      -88.276032         0.003870
BFGS:   10 16:48:46      -88.276033         0.004021
BFGS:   11 16:48:46      -88.276034         0.003675
BFGS:   12 16:48:46      -88.276036         0.002602
BFGS:   13 16:48:46      -88.276037         0.001817
BFGS:   14 16:48:46      -88.276037         0.000498
BFGS:   15 16:48:46      -88.276037         0.000042
BFGS:   16 16:48:46      -88.276037         0.000003
BFGS:   17 16:48:46      -88.276037         0.000000
BFGS:   18 16:48:46      -88.276037         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.6152864035798875e-09 eV/Angstrom
Maximum stress component: 1.8724521046049053e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.24132258e-35 2.99365350e-36 1.88480432e-01]
 [4.70354779e-35 5.67641190e-35 6.88480432e-01]
 [0.00000000e+00 0.00000000e+00 8.11519568e-01]
 [1.16941867e-35 0.00000000e+00 3.11519568e-01]
 [3.33333333e-01 6.66666667e-01 5.21516766e-01]
 [6.66666667e-01 3.33333333e-01 2.15167661e-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 6.43538661e-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([[2.514490077340293, 3.8705837421109167e-19, -2.7160097706166602e-36], [-1.2572450386701466, 2.1776122845405896, -5.441021337739977e-36], [-1.3742174860207093e-35, -4.1236385623757554e-35, 12.348598084748614]])
forces =  [[-2.06623221e-31 -1.07364575e-31 -3.47773643e-09]
 [-4.54571086e-31  2.14729150e-31 -3.47773643e-09]
 [-4.95895730e-31  4.29458300e-31  3.47773643e-09]
 [ 4.64902247e-32  2.05782102e-31  3.47773643e-09]
 [ 8.26492883e-32  1.43152767e-31 -3.61528640e-09]
 [-4.54571086e-31 -7.15763833e-32 -3.61528640e-09]
 [ 2.47947865e-31 -1.43152767e-31  3.61528640e-09]
 [ 6.61194306e-31 -2.86305533e-31  3.61528640e-09]
 [ 1.54967416e-32 -2.68411437e-32  3.16928733e-10]
 [-4.95895730e-31  4.29458300e-31  3.16928733e-10]
 [-3.87418539e-31  9.84175270e-32 -3.16928733e-10]
 [ 8.26492883e-32 -1.43152767e-31 -3.16928733e-10]]
stress =  [-9.89608060e-11 -9.89608060e-11 -1.87245210e-10  1.29873312e-33
 -1.98482802e-33  2.88689825e-26]
energy per atom =  -7.356336453930651
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0