element(s):
['Pd']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9372']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.9372, 0, 0], [0, 3.9372, 0], [0, 0, 3.9372]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:17      -44.453028         6.211913
BFGS:    1 16:35:17      -45.226061         3.984845
BFGS:    2 16:35:17      -45.625904         1.119384
BFGS:    3 16:35:17      -45.651225         0.279869
BFGS:    4 16:35:17      -45.652789         0.011987
BFGS:    5 16:35:17      -45.652792         0.000121
BFGS:    6 16:35:17      -45.652792         0.000000
BFGS:    7 16:35:18      -45.652792         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7450603446761746e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.68448828e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8232301371463504, -6.446103094736083e-33, 3.454704875670895e-34], [6.106720691831817e-33, 3.8232301371463504, 4.146303266879853e-18], [-2.710834661599196e-32, 4.146303266879878e-18, 3.8232301371463504]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.74506034e-14  1.74506034e-14  1.74506034e-14 -7.83529588e-30
  1.03650250e-33 -2.33893499e-49]
energy per atom =  -11.413198023234038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0