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:
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002
==== 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 15:36:34      -15.593478         0.615393
BFGS:    1 15:36:34      -15.608366         0.513037
BFGS:    2 15:36:34      -15.639671         0.055247
BFGS:    3 15:36:34      -15.639998         0.004242
BFGS:    4 15:36:35      -15.640000         0.000031
BFGS:    5 15:36:35      -15.640000         0.000000
BFGS:    6 15:36:35      -15.640000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.304755729404604e-15 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 1.54754332e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8890872917669452, -6.272705873106313e-33, -4.5395512157971037e-33], [-5.183238281644223e-33, 3.8890872917669452, 6.726294355711867e-20], [4.52550707605353e-33, 6.726294355710138e-20, 3.8890872917669452]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.30475573e-15  5.30475573e-15  5.30475573e-15 -5.15008807e-33
 -8.48894743e-36  8.66090539e-54]
energy per atom =  -3.910000000475333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0