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 16:35:13      -20.783298         0.459220
BFGS:    1 16:35:13      -20.790487         0.271907
BFGS:    2 16:35:13      -20.794444         0.006369
BFGS:    3 16:35:13      -20.794446         0.000102
BFGS:    4 16:35:13      -20.794446         0.000001
BFGS:    5 16:35:13      -20.794446         0.000000
BFGS:    6 16:35:13      -20.794446         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.027133883652662e-11 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 1.19913511e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.921140632256168, 3.392113164383632e-33, -2.3080923723715673e-34], [1.4263425650715519e-33, 3.921140632256168, -5.056439611951632e-22], [-9.146809001849113e-33, -5.056439611856045e-22, 3.921140632256168]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.02713388e-11  2.02713388e-11  2.02713388e-11 -6.21842282e-27
 -1.68460554e-59  3.94552525e-60]
energy per atom =  -5.198611600216719
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0