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_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
==== 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 17:12:43      -15.572274        0.7750
BFGS:    1 17:12:43      -15.596144        0.6610
BFGS:    2 17:12:43      -15.651625        0.0525
BFGS:    3 17:12:43      -15.651918        0.0074
BFGS:    4 17:12:43      -15.651924        0.0001
BFGS:    5 17:12:43      -15.651924        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.360933559405667e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.21446494e-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([[3.8733649264217545, -2.3941115210602777e-34, 2.4198258381715275e-33], [-5.7610016474319165e-34, 3.8733649264217545, 1.301946749938168e-18], [-1.1138704263101008e-32, 1.3019467499381785e-18, 3.8733649264217545]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.36093356e-12  3.36093356e-12  3.36093356e-12 -1.13951400e-28
 -1.71160045e-35  4.35872224e-51]
energy per atom =  -3.5545651597470784
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0