element(s):
['C']
AFLOW prototype label:
A_hP2_191_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.4677', '1.6162824']
Parameter values for parameter set 1:
['2.4647', '1.3417049']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 3.9885]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:21      -14.663181        1.5487
BFGS:    1 14:31:21      -14.715697        0.8349
BFGS:    2 14:31:21      -14.738910        0.0746
BFGS:    3 14:31:21      -14.739115        0.0157
BFGS:    4 14:31:21      -14.739119        0.0157
BFGS:    5 14:31:21      -14.739134        0.0155
BFGS:    6 14:31:21      -14.739167        0.0247
BFGS:    7 14:31:21      -14.739247        0.0441
BFGS:    8 14:31:21      -14.739407        0.0627
BFGS:    9 14:31:21      -14.739657        0.0655
BFGS:   10 14:31:21      -14.739884        0.0397
BFGS:   11 14:31:21      -14.739950        0.0108
BFGS:   12 14:31:21      -14.739954        0.0021
BFGS:   13 14:31:21      -14.739954        0.0002
BFGS:   14 14:31:21      -14.739954        0.0001
BFGS:   15 14:31:21      -14.739954        0.0000
BFGS:   16 14:31:21      -14.739954        0.0000
BFGS:   17 14:31:21      -14.739954        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.728621969373934e-30 eV/Angstrom
Maximum stress component: 1.6496496967143818e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.530282215127724, -1.50739846271645e-17, 1.0656231006579854e-36], [-1.265141107563862, 2.191288677044571, -2.1767324136328458e-36], [5.493053276851919e-35, 6.371805517410222e-36, 4.24026151468018]])
forces =  [[-9.98020359e-31  5.76207323e-31  1.18054389e-52]
 [-3.32673453e-31  1.72862197e-30 -1.18054389e-52]]
stress =  [-1.64964970e-10 -1.64964970e-10 -5.60152057e-11  1.64041705e-44
  7.77188834e-45 -4.40225287e-26]
energy per atom =  -7.369977012116455
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4647, 0, 0], [-1.23235, 2.1344928127075, 0], [0, 0, 3.3069]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:22      -14.623242        1.6500
BFGS:    1 14:31:22      -14.683264        0.8845
BFGS:    2 14:31:22      -14.710347        0.1766
BFGS:    3 14:31:22      -14.711100        0.1730
BFGS:    4 14:31:22      -14.712045        0.1664
BFGS:    5 14:31:22      -14.714559        0.1974
BFGS:    6 14:31:22      -14.719211        0.2994
BFGS:    7 14:31:22      -14.723864        0.3161
BFGS:    8 14:31:22      -14.728433        0.2833
BFGS:    9 14:31:22      -14.732425        0.2234
BFGS:   10 14:31:22      -14.735478        0.1539
BFGS:   11 14:31:22      -14.737536        0.0878
BFGS:   12 14:31:22      -14.738772        0.0331
BFGS:   13 14:31:22      -14.739441        0.0096
BFGS:   14 14:31:22      -14.739772        0.0253
BFGS:   15 14:31:22      -14.739908        0.0244
BFGS:   16 14:31:22      -14.739947        0.0127
BFGS:   17 14:31:22      -14.739953        0.0036
BFGS:   18 14:31:22      -14.739954        0.0008
BFGS:   19 14:31:22      -14.739954        0.0000
BFGS:   20 14:31:22      -14.739954        0.0000
BFGS:   21 14:31:22      -14.739954        0.0000
BFGS:   22 14:31:22      -14.739954        0.0000
BFGS:   23 14:31:22      -14.739954        0.0000
Minimization converged after 23 steps.
Maximum force component: 9.980203593976945e-31 eV/Angstrom
Maximum stress component: 8.999378213129087e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 7.89932203e-36]
 [6.66666663e-01 3.33333337e-01 3.33496084e-36]]
cellpar =  Cell([[2.530282215260961, 3.972051401297109e-18, -7.099405307275156e-37], [-1.2651411076304806, 2.191288677159959, 8.417950568947972e-37], [2.0510843695204257e-36, -2.7199191280944564e-36, 4.240261528880413]])
forces =  [[-9.98020359e-31  5.76207323e-31  7.08326336e-52]
 [-9.98020359e-31  5.76207323e-31 -4.72217557e-52]]
stress =  [ 8.99937821e-11  8.99937821e-11 -7.29619533e-12  1.30438658e-46
 -2.09519361e-47 -4.57235835e-27]
energy per atom =  -7.369977012116452
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0