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_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000
==== 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 15:34:06       35.286956         1.335316
BFGS:    1 15:34:06       35.211784         1.290354
BFGS:    2 15:34:06       35.029222         1.132726
BFGS:    3 15:34:06       34.875585         0.902869
BFGS:    4 15:34:06       34.769413         0.519309
BFGS:    5 15:34:06       34.675998         0.623762
BFGS:    6 15:34:06       34.602095         0.321233
BFGS:    7 15:34:06       34.587716         0.147504
BFGS:    8 15:34:06       34.584546         0.011051
BFGS:    9 15:34:06       34.584528         0.000343
BFGS:   10 15:34:06       34.584528         0.000000
BFGS:   11 15:34:06       34.584528         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4932548143419998e-12 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.11785716e-34]]
cellpar =  Cell([[3.6375067766097664, 8.175565198584329e-34, 1.3269854843368226e-33], [5.945156687586465e-34, 3.6375067766097664, 8.540927818084926e-18], [-1.5211882801364405e-33, 8.540927818084927e-18, 3.6375067766097673]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.49325481e-12  1.49325481e-12  1.49325481e-12 -1.67962879e-28
  1.94075896e-35 -2.40799787e-51]
energy per atom =  -2.258701579922999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0