element(s):
['Ta']
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:
['4.2656']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_Ta__MO_130046220009_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:51      -31.254400         1.010230
BFGS:    1 15:17:51      -31.295994         0.909735
BFGS:    2 15:17:51      -31.403832         0.515284
BFGS:    3 15:17:51      -31.446199         0.033108
BFGS:    4 15:17:51      -31.446354         0.003461
BFGS:    5 15:17:52      -31.446355         0.000053
BFGS:    6 15:17:52      -31.446355         0.000001
BFGS:    7 15:17:52      -31.446355         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.894529004480614e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
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 4.65172372e-35]]
cellpar =  Cell([[4.140250071143726, 3.3442074935362614e-33, -1.1093119004709423e-33], [-3.435505888916042e-33, 4.140250071143726, 1.9015648354622486e-18], [7.463506795104957e-34, 1.9015648354622463e-18, 4.140250071143726]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.89452900e-12 -3.89452900e-12 -3.89452900e-12  2.79533204e-28
 -3.74512299e-36 -4.75561747e-52]
energy per atom =  -7.861589527467294
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0