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 15:26:45       35.286956         1.335316
BFGS:    1 15:26:45       35.211784         1.290354
BFGS:    2 15:26:45       35.029222         1.132726
BFGS:    3 15:26:45       34.875585         0.902869
BFGS:    4 15:26:45       34.769413         0.519309
BFGS:    5 15:26:45       34.675998         0.623762
BFGS:    6 15:26:45       34.602095         0.321233
BFGS:    7 15:26:45       34.587716         0.147504
BFGS:    8 15:26:45       34.584546         0.011051
BFGS:    9 15:26:45       34.584528         0.000343
BFGS:   10 15:26:45       34.584528         0.000000
BFGS:   11 15:26:45       34.584528         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4927628057528943e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.76207005e-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([[3.637506776609766, 1.0433404542270104e-32, -3.316488990162899e-33], [9.572335822307812e-33, 3.637506776609766, 1.0823788060957842e-17], [4.8576386183991604e-33, 1.082378806095783e-17, 3.6375067766097664]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.49276281e-12  1.49276281e-12  1.49276281e-12 -1.14944696e-29
  4.85189740e-36 -2.86092003e-53]
energy per atom =  -2.2587015799230006
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0