element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7004']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:46      -16.916613         0.719413
BFGS:    1 15:55:46      -16.937988         0.666809
BFGS:    2 15:55:46      -17.017206         0.380897
BFGS:    3 15:55:46      -17.049667         0.043518
BFGS:    4 15:55:46      -17.050055         0.003565
BFGS:    5 15:55:46      -17.050057         0.000027
BFGS:    6 15:55:47      -17.050057         0.000000
BFGS:    7 15:55:47      -17.050057         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.989286100949853e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[1.90440744e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.57668862e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.592864389149362, -1.1291790183816507e-32, 1.363404037137925e-32], [-4.429735194716414e-33, 3.592864389149362, -1.8618890109289065e-17], [1.0373370558032709e-32, -1.861889010928906e-17, 3.592864389149362]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.98928610e-15 -5.98928610e-15 -5.98928610e-15  1.13326549e-30
  1.19357255e-34 -1.24293351e-50]
energy per atom =  -4.262514320226789
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0