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 17:12:38      -44.453028        6.2119
BFGS:    1 17:12:38      -45.226061        3.9848
BFGS:    2 17:12:38      -45.625904        1.1194
BFGS:    3 17:12:38      -45.651225        0.2799
BFGS:    4 17:12:38      -45.652789        0.0120
BFGS:    5 17:12:38      -45.652792        0.0001
BFGS:    6 17:12:38      -45.652792        0.0000
BFGS:    7 17:12:38      -45.652792        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.075311168078205e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.26380598e-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([[3.8232301371463513, -4.829922979441165e-33, 1.8636637150016382e-33], [4.490543451350962e-33, 3.8232301371463513, 4.14594805246679e-18], [1.1809613419678078e-32, 4.145948052466772e-18, 3.8232301371463513]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.07531117e-14  2.07531117e-14  2.07531117e-14 -4.58029433e-30
  2.81085423e-34 -6.23432231e-50]
energy per atom =  -11.413198023234036
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0