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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 18:10:21       -8.313588      230.5595
BFGS:    1 18:10:21      -35.529043      138.4945
BFGS:    2 18:10:21      -51.400050       77.3484
BFGS:    3 18:10:21      -59.772200       37.1187
BFGS:    4 18:10:21      -63.105011       12.7100
BFGS:    5 18:10:21      -63.678741        3.5122
BFGS:    6 18:10:21      -63.733001        0.4747
BFGS:    7 18:10:21      -63.734070        0.0231
BFGS:    8 18:10:21      -63.734072        0.0002
BFGS:    9 18:10:21      -63.734072        0.0000
BFGS:   10 18:10:21      -63.734072        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5671621302318665e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.742339262990382, 2.733897917959591e-33, -5.50146412571078e-33], [-7.908735601104625e-33, 3.742339262990382, 4.695021959798931e-18], [5.511674005982914e-33, 4.695021959798932e-18, 3.742339262990382]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.56716213e-15 -3.56716213e-15 -3.56716213e-15 -3.24552425e-34
 -1.17347241e-33 -1.63767599e-51]
energy per atom =  -31.867036067139942
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0