element(s):
['Al', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9793']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.9793, 0, 0], [0, 5.9793, 0], [0, 0, 5.9793]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:39:02      -67.729413         0.687365
BFGS:    1 14:39:02      -67.749400         0.669534
BFGS:    2 14:39:02      -67.842898         0.576477
BFGS:    3 14:39:02      -67.922157         0.479702
BFGS:    4 14:39:03      -67.986629         0.379333
BFGS:    5 14:39:03      -68.035786         0.275542
BFGS:    6 14:39:03      -68.069131         0.168542
BFGS:    7 14:39:03      -68.086200         0.058584
BFGS:    8 14:39:04      -68.088502         0.001110
BFGS:    9 14:39:04      -68.088503         0.000007
BFGS:   10 14:39:04      -68.088503         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.1123588304320112e-31 eV/Angstrom
Maximum stress component: 5.650356869983093e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.84435695e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.853747223799601, 1.960833307655649e-32, 3.271843163834193e-34], [4.10398096500612e-33, 5.853747223799601, -1.1169408178326664e-18], [-3.055173463109408e-34, -1.1169408178326697e-18, 5.853747223799601]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.05223133e-32 -1.50318761e-33  8.11721309e-32]
 [-2.70573770e-32 -2.10446265e-32  7.66625680e-32]
 [-1.91656420e-32 -3.75796902e-33 -1.11235883e-31]
 [-1.35286885e-32 -2.85605646e-32 -4.43440345e-32]
 [-2.10446265e-32 -1.50318761e-33 -5.41147539e-32]
 [-3.75796902e-34 -2.10446265e-32 -6.91466300e-32]
 [-1.57834699e-32 -9.01912565e-33  1.07853711e-31]
 [-1.63471652e-32  2.25478141e-33  2.63057832e-32]]
stress =  [ 5.65035687e-11  5.65035687e-11  5.65035687e-11  6.66249732e-30
  2.99758346e-35 -1.34901645e-53]
energy per atom =  -4.255531415826184
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "BiF3" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.