element(s):
['Ta']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3551']
model name:
Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3551, 0, 0], [0, 3.3551, 0], [0, 0, 3.3551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:47      -16.133117         0.971797
BFGS:    1 17:12:47      -16.165124         0.560226
BFGS:    2 17:12:47      -16.179897         0.048712
BFGS:    3 17:12:47      -16.180003         0.002177
BFGS:    4 17:12:47      -16.180003         0.000006
BFGS:    5 17:12:47      -16.180003         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8478000768942905e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.302537136936901, -1.7299700980347214e-33, -7.886392774732907e-33], [3.778134091763348e-33, 3.302537136936901, 7.301593143789374e-18], [1.916930115744841e-33, 7.301593143789369e-18, 3.302537136936901]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.84780008e-11 -3.84780008e-11 -3.84780008e-11 -1.92872493e-26
 -5.74295802e-60 -5.30699999e-60]
energy per atom =  -8.09000251851428
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0