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:
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
==== 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 15:32:55      -31.896982         0.210746
BFGS:    1 15:32:55      -31.898727         0.175659
BFGS:    2 15:32:55      -31.902809         0.006768
BFGS:    3 15:32:55      -31.902815         0.000231
BFGS:    4 15:32:55      -31.902815         0.000000
BFGS:    5 15:32:55      -31.902815         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.728131948963345e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.24564954634544, 3.100126138908679e-32, -1.147066412265756e-33], [3.012613545927406e-32, 4.24564954634544, 1.512819464867001e-20], [2.492667497396478e-34, 1.5128194648671555e-20, 4.24564954634544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.72813195e-13  7.72813195e-13  7.72813195e-13  8.39033715e-30
 -1.36622308e-62  1.62849412e-60]
energy per atom =  -7.975703805034007
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0