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:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_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 17:12:31      -20.783298        0.4592
BFGS:    1 17:12:31      -20.790487        0.2719
BFGS:    2 17:12:31      -20.794444        0.0064
BFGS:    3 17:12:31      -20.794446        0.0001
BFGS:    4 17:12:31      -20.794446        0.0000
BFGS:    5 17:12:31      -20.794446        0.0000
BFGS:    6 17:12:31      -20.794446        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0270966449626045e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.9211406322561677, -4.368277893591161e-33, -1.6452489343572346e-32], [-3.351180504672595e-32, 3.9211406322561677, -3.7293356958819306e-22], [2.5646464221461197e-33, -3.7293356958984933e-22, 3.9211406322561677]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.02709664e-11  2.02709664e-11  2.02709664e-11  1.52918608e-27
 -6.68058319e-35 -2.86588280e-51]
energy per atom =  -5.198611600216717
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0