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_JeongLee_2020_PtC__MO_716623333967_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         0.191437
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         0.131520
BFGS:    5 16:57:53      -14.789351         0.160792
BFGS:    6 16:57:53      -14.791252         0.121070
BFGS:    7 16:57:53      -14.791648         0.051032
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: 9.086897454343366e-31 eV/Angstrom
Maximum stress component: 2.3022940905928997e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 4.31167654e-38]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.4555707478270046, -9.696669957348859e-18, -9.368604208816178e-37], [-1.2277853739135023, 2.1265866484081366, -1.629888048416586e-36], [-4.681349110757089e-36, -6.445060291562906e-36, 3.6683584492803334]])
forces =  [[ 8.47482896e-31 -9.08689745e-31  5.73275177e-67]
 [-6.86057583e-31  6.29092901e-31  1.63410983e-51]]
stress =  [-2.30229409e-13 -2.30229409e-13  1.97427219e-13  1.57358010e-48
  3.99262279e-49  1.82374327e-30]
energy per atom =  -7.395869084570119
===============================================
==== 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         0.286724
BFGS:    3 16:57:54      -14.776420         0.328731
BFGS:    4 16:57:54      -14.784546         0.278638
BFGS:    5 16:57:54      -14.790104         0.142872
BFGS:    6 16:57:54      -14.791702         0.017016
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: 2.7959684473960492e-31 eV/Angstrom
Maximum stress component: 2.0619499963838655e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 4.89789313e-40]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.4555707477442565, 2.118691036281e-18, 9.680151915655482e-37], [-1.2277853738721283, 2.1265866483364757, 1.008157121085563e-35], [1.9951413961778596e-36, 6.516917753797073e-36, 3.6683584494114534]])
forces =  [[-1.61425314e-31  2.79596845e-31  1.63410983e-51]
 [ 1.61425314e-31 -2.79596845e-31 -1.63410983e-51]]
stress =  [-2.06195000e-10 -2.06195000e-10  4.18223083e-12  4.08559425e-46
  1.32329978e-46 -3.32775205e-26]
energy per atom =  -7.395869084570118
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0