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_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 15:24:58      -29.390338        2.4613
BFGS:    1 15:24:58      -29.208250        5.8890
BFGS:    2 15:24:58      -29.466977        0.8687
BFGS:    3 15:24:58      -29.473299        0.4316
BFGS:    4 15:24:58      -29.476175        0.2002
BFGS:    5 15:24:58      -29.478016        0.2511
BFGS:    6 15:24:58      -29.479628        0.1538
BFGS:    7 15:24:58      -29.479931        0.0496
BFGS:    8 15:24:58      -29.479972        0.0167
BFGS:    9 15:24:58      -29.479983        0.0166
BFGS:   10 15:24:58      -29.479997        0.0104
BFGS:   11 15:24:58      -29.480000        0.0047
BFGS:   12 15:24:58      -29.480000        0.0006
BFGS:   13 15:24:58      -29.480000        0.0000
BFGS:   14 15:24:58      -29.480000        0.0000
BFGS:   15 15:24:58      -29.480000        0.0000
BFGS:   16 15:24:58      -29.480000        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.7361193021397934e-09 eV/Angstrom
Maximum stress component: 2.0483507949904512e-10 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([[2.5222498827459763, 1.1301807099489172e-19, 1.5069028791449316e-36], [-1.2611249413729881, 2.184332473150337, 9.544357238124816e-37], [-4.319657991692358e-37, 5.102422889216038e-35, 4.118816811034743]])
forces =  [[ 3.64779126e-30 -1.72313449e-30 -1.73611930e-09]
 [ 6.63234775e-31  1.14875633e-30 -1.73611930e-09]
 [-3.64779126e-30  1.72313449e-30  1.73611930e-09]
 [-6.63234775e-31 -1.14875633e-30  1.73611930e-09]]
stress =  [ 1.53744210e-10  1.53744210e-10 -2.04835079e-10 -1.29326292e-44
 -5.06230826e-32  2.03057896e-27]
energy per atom =  -7.369999999987205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0