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_2010_FeNbC__MO_072689718616_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 20:57:30      -14.776153         0.325905
BFGS:    1 20:57:30      -14.778799         0.191439
BFGS:    2 20:57:31      -14.780610         0.121693
BFGS:    3 20:57:31      -14.780856         0.120664
BFGS:    4 20:57:31      -14.785789         0.131446
BFGS:    5 20:57:31      -14.789352         0.160681
BFGS:    6 20:57:32      -14.791252         0.120972
BFGS:    7 20:57:32      -14.791648         0.050990
BFGS:    8 20:57:32      -14.791738         0.000552
BFGS:    9 20:57:32      -14.791738         0.000028
BFGS:   10 20:57:33      -14.791738         0.000000
BFGS:   11 20:57:33      -14.791738         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.937103786729723e-30 eV/Angstrom
Maximum stress component: 2.1350949887791706e-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([[2.455570777952309, 4.152440829371002e-18, 2.60882474098866e-37], [-1.2277853889761545, 2.1265866744974176, -5.5342439759674e-38], [-2.4634498408088504e-36, -7.595664230885832e-37, 3.668358424742354]])
forces =  [[ 6.45701262e-31  5.59193696e-31  4.08527456e-52]
 [-1.93710379e-30 -5.59193696e-31 -6.12791184e-52]]
stress =  [-5.28359759e-14 -5.28359759e-14  2.13509499e-13  1.49195507e-48
  4.65065130e-49 -1.15450073e-29]
energy per atom =  -7.395869083830116
===============================================
==== 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 20:57:44      -14.760764         0.323753
BFGS:    1 20:57:44      -14.762654         0.315289
BFGS:    2 20:57:44      -14.772470         0.286746
BFGS:    3 20:57:45      -14.776420         0.328727
BFGS:    4 20:57:45      -14.784546         0.278603
BFGS:    5 20:57:45      -14.790105         0.142829
BFGS:    6 20:57:45      -14.791702         0.016996
BFGS:    7 20:57:46      -14.791737         0.001246
BFGS:    8 20:57:46      -14.791738         0.001322
BFGS:    9 20:57:46      -14.791738         0.000405
BFGS:   10 20:57:46      -14.791738         0.000039
BFGS:   11 20:57:47      -14.791738         0.000001
BFGS:   12 20:57:47      -14.791738         0.000000
BFGS:   13 20:57:47      -14.791738         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.582805048886003e-30 eV/Angstrom
Maximum stress component: 2.058565529168004e-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([[2.455570777869632, -7.524262419903594e-19, -3.2795399830433956e-37], [-1.227785388934816, 2.1265866744258144, -6.481682454468639e-37], [1.2470765066385255e-36, 1.541390213637598e-36, 3.668358424872245]])
forces =  [[-2.58280505e-30  1.11838739e-30 -8.17054912e-52]
 [ 6.45701262e-31  1.11838739e-30  1.22558237e-51]]
stress =  [-2.05856553e-10 -2.05856553e-10  4.12566668e-12  7.51355179e-47
  6.60511078e-47  5.31985569e-26]
energy per atom =  -7.395869083830113
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0