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_Pd__MO_066802556726_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 16:35:12      -15.538059         0.685766
BFGS:    1 16:35:12      -15.556682         0.580954
BFGS:    2 16:35:12      -15.600798         0.008305
BFGS:    3 16:35:12      -15.600806         0.000662
BFGS:    4 16:35:12      -15.600806         0.000001
BFGS:    5 16:35:12      -15.600806         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.675798122406725e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.75614886e-51 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([[3.878984547799943, -5.545341637238152e-34, 5.6503695332142315e-36], [1.5061280874468356e-34, 3.878984547799943, -1.2019168733313378e-19], [-2.208655611017747e-35, -1.2019168733313375e-19, 3.878984547799943]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.67579812e-12 -3.67579812e-12 -3.67579812e-12  3.97196452e-29
 -3.99994858e-36  4.71466165e-53]
energy per atom =  -3.900201623905993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0