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_KimJungLee_2009_FeTiC__MO_110119204723_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 16:57:53      -14.776153         0.325906
BFGS:    1 16:57:53      -14.778799         0.191436
BFGS:    2 16:57:53      -14.780610         0.121693
BFGS:    3 16:57:53      -14.780856         0.120664
BFGS:    4 16:57:53      -14.785788         0.131526
BFGS:    5 16:57:53      -14.789351         0.160804
BFGS:    6 16:57:53      -14.791252         0.121084
BFGS:    7 16:57:53      -14.791648         0.051039
BFGS:    8 16:57:53      -14.791738         0.000552
BFGS:    9 16:57:53      -14.791738         0.000028
BFGS:   10 16:57:53      -14.791738         0.000000
BFGS:   11 16:57:53      -14.791738         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.246322631059982e-31 eV/Angstrom
Maximum stress component: 2.2548412723105255e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.455570719601525, -3.214613957402e-18, -1.7422844386083662e-36], [-1.2277853598007624, 2.1265866239641547, -4.422197709253301e-37], [-2.1353665349363594e-36, 6.9000920145469054e-37, 3.668358473966612]])
forces =  [[-5.24632263e-31  3.49496052e-31  1.56392953e-67]
 [ 5.24632263e-31 -3.49496052e-31 -1.56392953e-67]]
stress =  [-2.25484127e-13 -2.25484127e-13  1.96557534e-13  2.40093124e-48
  7.83170061e-49  2.50670921e-30]
energy per atom =  -7.3958690866959405
===============================================
==== 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 16:57:54      -14.760764         0.323753
BFGS:    1 16:57:54      -14.762654         0.315289
BFGS:    2 16:57:54      -14.772470         0.286719
BFGS:    3 16:57:54      -14.776420         0.328733
BFGS:    4 16:57:54      -14.784546         0.278643
BFGS:    5 16:57:54      -14.790104         0.142881
BFGS:    6 16:57:54      -14.791702         0.017019
BFGS:    7 16:57:54      -14.791737         0.001240
BFGS:    8 16:57:54      -14.791738         0.001319
BFGS:    9 16:57:54      -14.791738         0.000405
BFGS:   10 16:57:54      -14.791738         0.000039
BFGS:   11 16:57:54      -14.791738         0.000001
BFGS:   12 16:57:54      -14.791738         0.000000
BFGS:   13 16:57:54      -14.791738         0.000000
Minimization converged after 13 steps.
Maximum force component: 9.685518703168866e-31 eV/Angstrom
Maximum stress component: 2.0625079513872006e-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([[2.455570719518751, -4.59669078204819e-18, -1.4583232523311914e-36], [-1.2277853597593755, 2.1265866238924724, 5.054127084693541e-37], [-3.6389989067114867e-37, 1.419364410917764e-36, 3.6683584740979174]])
forces =  [[ 9.68551870e-31 -5.59193683e-31 -1.02131865e-52]
 [-9.68551870e-31  5.59193683e-31  1.02131865e-52]]
stress =  [-2.06250795e-10 -2.06250795e-10  4.19153375e-12  1.09470206e-46
 -7.84638197e-48  4.45887750e-26]
energy per atom =  -7.3958690866959405
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0