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_Lee_2006_FeC__MO_856956178669_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 14:43:05      -14.661728        0.3875
BFGS:    1 14:43:05      -14.665142        0.2286
BFGS:    2 14:43:05      -14.666916        0.0071
BFGS:    3 14:43:05      -14.666917        0.0001
BFGS:    4 14:43:05      -14.666917        0.0000
BFGS:    5 14:43:05      -14.666917        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.461285597017944e-31 eV/Angstrom
Maximum stress component: 6.098662498847173e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 1.88201558e-37]]
cellpar =  Cell([[2.451340887936364, 2.60948618407936e-19, 1.0960249917364652e-48], [-1.225670443968182, 2.1229234822883947, -1.0960251008051156e-48], [1.5984338658244078e-39, -9.228562261534509e-40, 3.988499999999999]])
forces =  [[ 2.22676015e-31 -2.46128560e-31 -5.55225107e-53]
 [-2.22676015e-31  2.46128560e-31  5.55225107e-53]]
stress =  [-6.09866250e-14 -6.09866250e-14  2.62272725e-73 -1.41110409e-53
  2.44410397e-53  1.34992426e-29]
energy per atom =  -7.333458714361696
===============================================
==== 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 14:43:06      -14.760764        0.3238
BFGS:    1 14:43:06      -14.762654        0.3153
BFGS:    2 14:43:06      -14.772470        0.2867
BFGS:    3 14:43:06      -14.776420        0.3287
BFGS:    4 14:43:06      -14.784513        0.2786
BFGS:    5 14:43:06      -14.684938        4.6412
BFGS:    6 14:43:06      -14.787094        0.0811
BFGS:    7 14:43:06      -14.787155        0.0712
BFGS:    8 14:43:06      -14.787228        0.0686
BFGS:    9 14:43:06      -14.787292        0.0170
BFGS:   10 14:43:06      -14.787298        0.0029
BFGS:   11 14:43:06      -14.787298        0.0002
BFGS:   12 14:43:06      -14.787298        0.0000
BFGS:   13 14:43:06      -14.787298        0.0000
Minimization converged after 13 steps.
Maximum force component: 2.9069911979388644e-30 eV/Angstrom
Maximum stress component: 8.917221036247155e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.18660640e-53]
 [6.66666663e-01 3.33333337e-01 1.02355802e-37]]
cellpar =  Cell([[2.4566994246169207, 8.7657930931655e-19, 1.7422883521465805e-37], [-1.2283497123084604, 2.1275641111808667, 1.5861101334636933e-37], [6.4435714757079e-36, 8.801503932032929e-38, 3.5194440706120647]])
forces =  [[ 2.90699120e-30 -1.67835215e-30  1.23202891e-68]
 [-2.90699120e-30  1.67835215e-30 -1.23202891e-68]]
stress =  [-2.89406024e-11 -2.89406024e-11 -8.91722104e-11  1.69189644e-45
  6.41581670e-46 -5.00889153e-27]
energy per atom =  -7.393648992979495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1