element(s):
['Mn', 'Pd']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0981', '1.0744973']
model name:
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[3.0981, 0, 0], [0, 3.0981, 0], [0, 0, 3.3289]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:43       -6.873684         6.115363
BFGS:    1 14:56:43       -7.556784         3.746219
BFGS:    2 14:56:43       -7.866444         0.867624
BFGS:    3 14:56:43       -7.881553         0.819710
BFGS:    4 14:56:43       -7.894512         1.029159
BFGS:    5 14:56:43       -7.946578         1.911556
BFGS:    6 14:56:43       -8.017132         2.779297
BFGS:    7 14:56:43       -8.126128         3.354565
BFGS:    8 14:56:43       -8.268554         3.738462
BFGS:    9 14:56:43       -8.438196         4.038082
BFGS:   10 14:56:43       -8.628452         4.215368
BFGS:   11 14:56:43       -8.830017         4.241910
BFGS:   12 14:56:43       -9.030568         4.125785
BFGS:   13 14:56:43       -9.214451         3.871117
BFGS:   14 14:56:43       -9.365999         3.469308
BFGS:   15 14:56:43       -9.478870         2.832293
BFGS:   16 14:56:43       -9.555773         1.805887
BFGS:   17 14:56:43       -9.596838         1.084273
BFGS:   18 14:56:43       -9.606912         0.428352
BFGS:   19 14:56:43       -9.609074         0.018625
BFGS:   20 14:56:43       -9.609086         0.001478
BFGS:   21 14:56:43       -9.609086         0.000065
BFGS:   22 14:56:43       -9.609086         0.000003
BFGS:   23 14:56:43       -9.609086         0.000000
BFGS:   24 14:56:43       -9.609086         0.000000
Minimization converged after 24 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8271253207213075e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.466728666627265, 2.761129836647179e-35, -1.8934150911408506e-32], [6.233762833395853e-35, 2.466728666627268, 2.6780932923894664e-18], [-5.943002711318771e-32, -4.564297437574449e-18, 4.277865262276683]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.82712532e-11  1.82712532e-11 -1.54354690e-11  4.88834337e-27
  1.16807836e-33 -3.46399553e-49]
energy per atom =  -4.802560355541641
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0