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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 17:12:29      -15.538113        0.6859
BFGS:    1 17:12:29      -15.556747        0.5813
BFGS:    2 17:12:30      -15.601077        0.0051
BFGS:    3 17:12:30      -15.601080        0.0004
BFGS:    4 17:12:30      -15.601080        0.0000
BFGS:    5 17:12:30      -15.601080        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.073858541831011e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.55167149e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8787405244508495, -1.467119970253464e-34, -1.1848337704969714e-33], [-7.789315109560083e-34, 3.8787405244508495, 6.862616668608195e-20], [-1.079081240178171e-34, 6.862616668608084e-20, 3.8787405244508495]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.07385854e-13 -7.07385854e-13 -7.07385854e-13  2.84956099e-29
 -6.82743789e-35  1.26211055e-51]
energy per atom =  -3.9002699253346322
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0