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 20:57:58      -42.962599         4.197046
BFGS:    1 20:57:58      -43.536974         3.469477
BFGS:    2 20:57:59      -44.005837         2.789797
BFGS:    3 20:57:59      -44.376183         2.155513
BFGS:    4 20:57:59      -44.654642         1.564257
BFGS:    5 20:57:59      -44.847498         1.013761
BFGS:    6 20:57:59      -44.960700         0.501866
BFGS:    7 20:57:59      -44.999793         0.035462
BFGS:    8 20:58:00      -44.999999         0.001396
BFGS:    9 20:58:00      -45.000000         0.000005
BFGS:   10 20:58:00      -45.000000         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.2635813553172797e-30 eV/Angstrom
Maximum stress component: 4.1361868958432765e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[3.85967509e-34 1.28395330e-34 3.85185989e-34]
 [1.29325893e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.71950554e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.17458070e-34]
 [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([[4.91902330925722, -1.107332732490134e-33, 2.5125053181416328e-33], [2.265083378483753e-33, 4.91902330925722, -9.736799735550415e-19], [8.492263401677577e-34, -9.736799735550392e-19, 4.91902330925722]])
forces =  [[-4.04210956e-32 -2.02105478e-32 -2.02105478e-32]
 [-4.04210956e-32 -4.04210956e-32  4.04210956e-32]
 [ 6.06316434e-32 -6.06316434e-32 -4.04210956e-32]
 [-6.06316434e-32  1.21263287e-31 -6.06316434e-32]
 [-4.44632052e-31  9.70106295e-31 -2.15242334e-30]
 [ 8.12211390e-31  2.45052892e-31 -1.92000204e-30]
 [ 3.94105682e-31 -5.65895339e-31  2.26358136e-30]
 [ 2.02105478e-31  4.20632026e-31  2.18273916e-30]]
stress =  [-4.13618690e-11 -4.13618690e-11 -4.13618690e-11  2.44498580e-28
 -1.35841175e-33  1.03185766e-50]
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