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:
MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002
==== 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 17:19:48      -31.172137        0.9258
BFGS:    1 17:19:48      -31.203624        0.6629
BFGS:    2 17:19:49      -31.238250        0.0382
BFGS:    3 17:19:49      -31.238372        0.0017
BFGS:    4 17:19:49      -31.238372        0.0000
BFGS:    5 17:19:49      -31.238372        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.03460764865739e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.92380206e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.39397000e-36]]
cellpar =  Cell([[4.317547058289531, -1.93482173323733e-33, 7.670950624020565e-35], [-1.8865747819898733e-33, 4.317547058289531, 4.060913611095616e-20], [-6.553454209324476e-34, 4.060913611095529e-20, 4.317547058289531]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.03460765e-11 -3.03460765e-11 -3.03460765e-11  2.27754711e-27
  1.37754268e-35 -4.76583487e-52]
energy per atom =  -7.809593015345872
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0