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 19:05:57      -75.351156         3.994535
BFGS:    1 19:05:57      -75.812617         2.195692
BFGS:    2 19:05:57      -76.020497         0.609601
BFGS:    3 19:05:57      -76.039433         0.051894
BFGS:    4 19:05:57      -76.039575         0.001391
BFGS:    5 19:05:57      -76.039576         0.000003
BFGS:    6 19:05:57      -76.039576         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.3047318666462884e-29 eV/Angstrom
Maximum stress component: 1.564390562365593e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[2.56780986e-34 2.56853352e-34 2.56853352e-34]
 [2.57300873e-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([[4.782489061853684, 6.014596298168432e-33, 1.1536563263282858e-32], [-5.1555154781652734e-33, 4.782489061853684, 1.9299499450298162e-20], [-5.1875876701061785e-34, 1.9299499450297738e-20, 4.782489061853684]])
forces =  [[ 1.57196610e-31 -1.57196610e-31  1.57196610e-31]
 [-1.57196610e-31  1.57196610e-31 -1.57196610e-31]
 [-1.57196610e-31  1.57196610e-31  1.57196610e-31]
 [ 1.57196610e-31 -1.57196610e-31 -1.57196610e-31]
 [ 4.40150509e-30 -2.98673560e-30 -5.77206304e-31]
 [-2.65269280e-31  7.36859111e-31  1.92565848e-30]
 [ 9.56074697e-31 -3.30112882e-30  9.43179663e-30]
 [ 2.20075255e-30  1.70951314e-30  1.30473187e-29]]
stress =  [-1.56439056e-11 -1.56439056e-11 -1.56439056e-11 -2.03681161e-28
 -8.62248547e-33 -5.49880878e-50]
energy per atom =  -9.504946945259322
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0