element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:59      -29.239660        0.7304
BFGS:    1 15:24:59      -29.250522        0.4407
BFGS:    2 15:24:59      -29.254272        0.3412
BFGS:    3 15:24:59      -29.262826        0.0834
BFGS:    4 15:24:59      -29.263241        0.0880
BFGS:    5 15:24:59      -29.263768        0.0688
BFGS:    6 15:24:59      -29.264061        0.0465
BFGS:    7 15:24:59      -29.264165        0.0181
BFGS:    8 15:24:59      -29.264174        0.0026
BFGS:    9 15:24:59      -29.264174        0.0001
BFGS:   10 15:24:59      -29.264174        0.0000
BFGS:   11 15:24:59      -29.264174        0.0000
BFGS:   12 15:24:59      -29.264174        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.8996427481331466e-09 eV/Angstrom
Maximum stress component: 8.191267048819995e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.517381112088093, -2.214602227274772e-19, 4.617823693761965e-37], [-1.2586905560440464, 2.1801159940754116, 4.44546892747664e-37], [1.4372966498991572e-36, -2.3712975528586454e-37, 4.11086614202723]])
forces =  [[ 6.61954514e-31  1.67203738e-46 -2.89964275e-09]
 [ 2.48232943e-31 -1.00322149e-30 -2.89964275e-09]
 [-6.61954514e-31 -1.67203738e-46  2.89964275e-09]
 [-1.65488629e-31  8.59904138e-31  2.89964275e-09]]
stress =  [-1.78008993e-11 -1.78008993e-11 -8.19126705e-11  6.60159322e-32
  1.27047721e-32 -1.55222096e-27]
energy per atom =  -7.31604362350568
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0