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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:18:02      -75.351156         3.994535
BFGS:    1 12:18:02      -75.812617         2.195692
BFGS:    2 12:18:02      -76.020497         0.609601
BFGS:    3 12:18:02      -76.039433         0.051894
BFGS:    4 12:18:02      -76.039575         0.001391
BFGS:    5 12:18:02      -76.039576         0.000003
BFGS:    6 12:18:02      -76.039576         0.000000
Minimization converged after 6 steps.
Maximum force component: 4.8141461947039245e-30 eV/Angstrom
Maximum stress component: 1.5649716293293436e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[2.56783293e-34 2.56853352e-34 2.56853352e-34]
 [2.57303319e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.57038742e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.56724129e-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([[4.782489061853682, -3.274496463694689e-33, 6.078362963297641e-34], [-5.853531451929991e-33, 4.782489061853682, 1.9311974265119336e-20], [9.831279235087707e-37, 1.931197426512471e-20, 4.782489061853682]])
forces =  [[ 1.37547034e-31  7.85983052e-32  1.57196610e-31]
 [ 7.85983052e-32  1.57196610e-31  5.89487289e-32]
 [ 7.85983052e-32  1.57196610e-31  1.37547034e-31]
 [ 1.57196610e-31  5.89487289e-32  7.85983052e-32]
 [ 7.07384747e-31 -1.96495763e-30 -4.81414619e-30]
 [-1.72916271e-30  2.58146309e-30 -2.41689789e-30]
 [ 6.48436018e-31 -8.64581357e-31  1.33617119e-30]
 [-1.65056441e-30  2.55444492e-30  4.48010340e-30]]
stress =  [-1.56497163e-11 -1.56497163e-11 -1.56497163e-11  1.74896763e-28
  5.74832365e-33 -1.57542115e-49]
energy per atom =  -9.504946945259324
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0