element(s):
['Al', 'Co', 'Fe']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8891']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8891, 0, 0], [0, 5.8891, 0], [0, 0, 5.8891]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:50:41      -67.398699         0.552223
BFGS:    1 14:50:41      -67.411604         0.538258
BFGS:    2 14:50:41      -67.485670         0.449126
BFGS:    3 14:50:41      -67.546312         0.359346
BFGS:    4 14:50:41      -67.592503         0.250868
BFGS:    5 14:50:41      -67.621171         0.130512
BFGS:    6 14:50:41      -67.631403         0.005083
BFGS:    7 14:50:41      -67.631418         0.000106
BFGS:    8 14:50:42      -67.631418         0.000000
BFGS:    9 14:50:42      -67.631418         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.2630602314477324e-30 eV/Angstrom
Maximum stress component: 1.0719767960161296e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe']
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 0.00000000e+00]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 3.54311134e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.793448473397821, 6.895208093728398e-33, 9.066240417732085e-33], [8.56974939057326e-33, 5.793448473397821, 9.99377442647836e-18], [-9.16312814133145e-33, 9.993774426478362e-18, 5.793448473397821]])
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]
 [-2.49934180e-31 -1.16040869e-30  4.87966733e-31]
 [-1.15529471e-31  1.08007271e-30 -7.85693386e-33]
 [-1.48770345e-31 -1.24967090e-30 -3.92753712e-31]
 [-2.38032552e-31  1.26306023e-30 -1.96376856e-31]
 [-1.07114649e-31 -6.78392774e-31  2.38032552e-31]
 [-3.71182011e-31  1.12172840e-30 -1.54721159e-31]
 [-4.28458594e-31  1.12619151e-30  6.23417483e-31]
 [-2.84416230e-31 -6.66491147e-31  3.95171230e-31]
 [ 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]]
stress =  [ 1.07197680e-13  1.07197680e-13  1.07197680e-13 -2.25042194e-31
  7.65076610e-36  8.22542983e-54]
energy per atom =  -4.226963634926107
===============================================
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 "Heusler" 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.