element(s):
['C', 'Pd']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7112']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pd']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.7112, 0, 0], [0, 4.7112, 0], [0, 0, 4.7112]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:06:15      -42.962599         4.197046
BFGS:    1 19:06:15      -43.536974         3.469477
BFGS:    2 19:06:15      -44.005837         2.789797
BFGS:    3 19:06:15      -44.376183         2.155513
BFGS:    4 19:06:15      -44.654642         1.564257
BFGS:    5 19:06:15      -44.847498         1.013761
BFGS:    6 19:06:15      -44.960700         0.501866
BFGS:    7 19:06:15      -44.999793         0.035462
BFGS:    8 19:06:15      -44.999999         0.001396
BFGS:    9 19:06:15      -45.000000         0.000005
BFGS:   10 19:06:15      -45.000000         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.840004084913239e-31 eV/Angstrom
Maximum stress component: 4.136620087604584e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 1.28395330e-34 0.00000000e+00]
 [1.29157109e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.919023309257216, 1.6973027682514136e-33, -8.135889460427892e-35], [-2.4864584522567108e-33, 4.919023309257216, 2.193985958310301e-17], [-6.853610684420056e-33, 2.193985958310303e-17, 4.919023309257216]])
forces =  [[ 2.02105478e-32  2.02105478e-32  1.51579109e-32]
 [ 2.02105478e-32  2.02105478e-32 -2.02105478e-32]
 [ 2.02105478e-32  2.02105478e-32  2.02105478e-32]
 [ 2.02105478e-32  2.02105478e-32  9.47369429e-33]
 [ 9.09474652e-32 -9.09474652e-32  3.84000408e-31]
 [-3.73895135e-31  2.38737096e-31 -2.65895020e-31]
 [ 2.02105478e-31  2.02105478e-32 -2.72842396e-31]
 [-2.93052943e-31  1.76842293e-31  1.81894930e-31]]
stress =  [-4.13662009e-11 -4.13662009e-11 -4.13662009e-11  6.64764104e-27
 -1.27272730e-59  2.54103158e-60]
energy per atom =  -5.6249999476073524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0