element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:49:06      -55.521875         7.394793
BFGS:    1 09:49:06      -57.196283         2.095372
BFGS:    2 09:49:06      -57.303064         1.893008
BFGS:    3 09:49:06      -57.430410         1.525099
BFGS:    4 09:49:06      -57.528920         1.135484
BFGS:    5 09:49:06      -57.597728         0.726842
BFGS:    6 09:49:06      -57.635145         0.296643
BFGS:    7 09:49:06      -57.642016         0.010174
BFGS:    8 09:49:06      -57.642022         0.006611
BFGS:    9 09:49:06      -57.642025         0.007394
BFGS:   10 09:49:06      -57.642031         0.006102
BFGS:   11 09:49:06      -57.642033         0.003262
BFGS:   12 09:49:06      -57.642034         0.001389
BFGS:   13 09:49:06      -57.642034         0.000281
BFGS:   14 09:49:06      -57.642034         0.000026
BFGS:   15 09:49:06      -57.642034         0.000003
BFGS:   16 09:49:06      -57.642034         0.000000
BFGS:   17 09:49:06      -57.642034         0.000000
BFGS:   18 09:49:06      -57.642034         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.1999208697829037e-10 eV/Angstrom
Maximum stress component: 4.17314603494865e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81054252 0.81054252 0.        ]
 [0.18945748 0.18945748 0.        ]
 [0.18945748 0.81054252 0.        ]
 [0.81054252 0.18945748 0.        ]
 [0.31054252 0.31054252 0.5       ]
 [0.68945748 0.68945748 0.5       ]
 [0.68945748 0.31054252 0.5       ]
 [0.31054252 0.68945748 0.5       ]]
cellpar =  Cell([[4.460634101801485, 4.9983527507045425e-36, -2.3584727475726158e-34], [1.0508762048366727e-35, 4.460634101801486, 4.699748733330694e-18], [5.520791495650079e-33, 2.5698450888956214e-18, 2.4239259983600534]])
forces =  [[-4.19992087e-10 -4.19992087e-10 -4.42505983e-28]
 [ 4.19992087e-10  4.19992087e-10  4.42505983e-28]
 [ 4.19992087e-10 -4.19992087e-10 -4.42505983e-28]
 [-4.19992087e-10  4.19992087e-10  4.42505983e-28]
 [-4.19992087e-10 -4.19992087e-10 -4.42505983e-28]
 [ 4.19992087e-10  4.19992087e-10  4.42505983e-28]
 [ 4.19992087e-10 -4.19992087e-10 -4.42505983e-28]
 [-4.19992087e-10  4.19992087e-10  4.42505983e-28]]
stress =  [ 2.81030423e-10  2.81030423e-10  4.17314603e-10  9.15997733e-26
 -3.59414747e-43 -2.51758328e-59]
energy per atom =  -7.205254289982473
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0