element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:07      -29.492329        0.3425
BFGS:    1 15:22:07      -29.495655        0.2724
BFGS:    2 15:22:07      -29.502305        0.1452
BFGS:    3 15:22:07      -29.502644        0.1452
BFGS:    4 15:22:07      -29.509920        0.1433
BFGS:    5 15:22:07      -29.517027        0.1396
BFGS:    6 15:22:07      -29.523888        0.1337
BFGS:    7 15:22:07      -29.530395        0.1254
BFGS:    8 15:22:07      -29.536416        0.1142
BFGS:    9 15:22:07      -29.541797        0.0996
BFGS:   10 15:22:07      -29.546355        0.0811
BFGS:   11 15:22:07      -29.549881        0.0582
BFGS:   12 15:22:07      -29.552134        0.0301
BFGS:   13 15:22:07      -29.552833        0.0040
BFGS:   14 15:22:07      -29.552843        0.0019
BFGS:   15 15:22:07      -29.552844        0.0007
BFGS:   16 15:22:07      -29.552844        0.0000
BFGS:   17 15:22:07      -29.552844        0.0000
BFGS:   18 15:22:07      -29.552844        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.9369701085748123e-30 eV/Angstrom
Maximum stress component: 2.3522184690159857e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[5.12307377e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4554013207589995, -2.5754634583547926e-19, 5.1885848009270855e-34], [-1.2277006603794998, 2.126439920263157, 1.0377507383493117e-33], [1.5971528898937976e-33, 4.6062986235839976e-33, 7.269024776455292]])
forces =  [[ 1.93697011e-30 -1.11831021e-30 -2.72889211e-64]
 [-9.68485054e-31  2.79577553e-31 -3.41044898e-65]
 [ 4.10133944e-67  1.18285446e-66  1.86661766e-33]
 [ 4.84242527e-31 -5.59155107e-31 -2.38771398e-64]]
stress =  [ 2.35221847e-10  2.35221847e-10 -3.95672812e-11  2.65809158e-33
  9.20789932e-34  3.26389141e-26]
energy per atom =  -7.3882109349739125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0