element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:09:30      -57.151660         4.592832
BFGS:    1 19:09:30      -57.474035         2.124472
BFGS:    2 19:09:30      -57.559012         0.370787
BFGS:    3 19:09:30      -57.562127         0.364575
BFGS:    4 19:09:30      -57.569458         0.265446
BFGS:    5 19:09:30      -57.573762         0.198527
BFGS:    6 19:09:30      -57.575738         0.082917
BFGS:    7 19:09:30      -57.575991         0.046791
BFGS:    8 19:09:30      -57.576059         0.036091
BFGS:    9 19:09:30      -57.576143         0.031312
BFGS:   10 19:09:30      -57.576267         0.039139
BFGS:   11 19:09:30      -57.576361         0.025683
BFGS:   12 19:09:30      -57.576398         0.017292
BFGS:   13 19:09:30      -57.576410         0.015675
BFGS:   14 19:09:30      -57.576421         0.013532
BFGS:   15 19:09:30      -57.576441         0.015310
BFGS:   16 19:09:30      -57.576462         0.013039
BFGS:   17 19:09:30      -57.576471         0.005253
BFGS:   18 19:09:30      -57.576473         0.000727
BFGS:   19 19:09:30      -57.576473         0.000058
BFGS:   20 19:09:30      -57.576473         0.000007
BFGS:   21 19:09:30      -57.576473         0.000001
BFGS:   22 19:09:30      -57.576473         0.000000
BFGS:   23 19:09:30      -57.576473         0.000000
BFGS:   24 19:09:30      -57.576473         0.000000
BFGS:   25 19:09:30      -57.576473         0.000000
Minimization converged after 25 steps.
Maximum force component: 4.2959968030859e-09 eV/Angstrom
Maximum stress component: 6.649207689763697e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90564243e-01 0.00000000e+00 0.00000000e+00]
 [4.09435757e-01 3.00927935e-36 9.98254085e-38]
 [9.05642432e-02 5.00000000e-01 0.00000000e+00]
 [9.09435757e-01 5.00000000e-01 0.00000000e+00]
 [6.86650432e-01 0.00000000e+00 5.00000000e-01]
 [3.13349568e-01 9.78011218e-36 5.00000000e-01]
 [1.86650432e-01 5.00000000e-01 5.00000000e-01]
 [8.13349568e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.85445197670279, 1.1447629037123238e-36, 0.0], [3.2521287834797482e-37, 2.6908447561622397, 0.0], [0.0, 0.0, 2.488213670837923]])
forces =  [[ 4.29599680e-09 -1.32668889e-31  0.00000000e+00]
 [-4.29599680e-09 -1.49252501e-31  0.00000000e+00]
 [ 4.29599680e-09 -9.12098615e-32  0.00000000e+00]
 [-4.29599680e-09 -1.32668889e-31  0.00000000e+00]
 [-1.38383535e-09 -1.32668889e-31 -2.45356811e-31]
 [ 1.38383535e-09 -7.46262503e-32  1.22678406e-31]
 [-1.38383535e-09 -1.57544306e-31 -2.45356811e-31]
 [ 1.38383535e-09 -1.32668889e-31  1.22678406e-31]]
stress =  [ 6.64920769e-11  6.52895131e-11  1.60587830e-11  0.00000000e+00
  0.00000000e+00 -2.33279148e-33]
energy per atom =  -7.1970590799373975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0