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 17:58:53      -14.661728         0.387505
BFGS:    1 17:58:53      -14.665142         0.228551
BFGS:    2 17:58:53      -14.666916         0.007135
BFGS:    3 17:58:53      -14.666917         0.000125
BFGS:    4 17:58:53      -14.666917         0.000000
BFGS:    5 17:58:53      -14.666917         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.776125532865291e-53 eV/Angstrom
Maximum stress component: 6.064491930772291e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.83685939e-40]
 [6.66666663e-01 3.33333337e-01 1.39100165e-37]]
cellpar =  Cell([[2.4513408879363645, 2.873341091931038e-19, -8.562693117695027e-51], [-1.2256704439681823, 2.1229234822883947, 8.562690561398623e-51], [-1.2487764576753186e-41, 7.20981424017496e-42, 3.988499999999999]])
forces =  [[-8.69188971e-95  5.01826486e-95  2.77612553e-53]
 [ 8.69188971e-95 -5.01826486e-95 -2.77612553e-53]]
stress =  [-6.06449193e-14 -6.06449193e-14  1.42894078e-73  1.09624822e-55
 -1.89875762e-55  1.61960164e-29]
energy per atom =  -7.333458714361699
===============================================
==== 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 17:58:55      -14.760764         0.323753
BFGS:    1 17:58:55      -14.762654         0.315289
BFGS:    2 17:58:55      -14.772470         0.286734
BFGS:    3 17:58:55      -14.776420         0.328731
BFGS:    4 17:58:55      -14.784513         0.278582
BFGS:    5 17:58:55      -14.684938         4.641228
BFGS:    6 17:58:55      -14.787094         0.081073
BFGS:    7 17:58:55      -14.787155         0.071199
BFGS:    8 17:58:55      -14.787228         0.068590
BFGS:    9 17:58:55      -14.787292         0.017034
BFGS:   10 17:58:55      -14.787298         0.002901
BFGS:   11 17:58:55      -14.787298         0.000167
BFGS:   12 17:58:55      -14.787298         0.000002
BFGS:   13 17:58:55      -14.787298         0.000000
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 7.83662901e-39]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.4566994246169207, 2.0140484756454288e-18, 2.264805653179692e-37], [-1.2283497123084604, 2.1275641111808667, -2.4082158390097307e-37], [3.872387876988241e-37, 8.548959352587165e-37, 3.5194440706120647]])
forces =  [[ 2.90699120e-30 -1.67835215e-30  3.68636396e-67]
 [-2.90699120e-30  1.67835215e-30 -1.95971790e-52]]
stress =  [-2.89406024e-11 -2.89406024e-11 -8.91722104e-11  1.04259716e-46
  4.69387475e-47 -4.65862373e-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