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 16:16:50      -29.390338         2.461267
BFGS:    1 16:16:50      -29.208250         5.889031
BFGS:    2 16:16:50      -29.466977         0.868698
BFGS:    3 16:16:50      -29.473299         0.431595
BFGS:    4 16:16:50      -29.476175         0.200212
BFGS:    5 16:16:50      -29.478016         0.251115
BFGS:    6 16:16:50      -29.479628         0.153769
BFGS:    7 16:16:50      -29.479931         0.049633
BFGS:    8 16:16:50      -29.479972         0.016658
BFGS:    9 16:16:50      -29.479983         0.016608
BFGS:   10 16:16:50      -29.479997         0.010395
BFGS:   11 16:16:50      -29.480000         0.004731
BFGS:   12 16:16:50      -29.480000         0.000590
BFGS:   13 16:16:50      -29.480000         0.000022
BFGS:   14 16:16:50      -29.480000         0.000001
BFGS:   15 16:16:50      -29.480000         0.000000
BFGS:   16 16:16:50      -29.480000         0.000000
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