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_LeeBaskesKim_2001_Ta__MO_644143102837_001
==== 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 01:12:06      -31.586741         1.320448
BFGS:    1 01:12:07      -31.654312         1.065518
BFGS:    2 01:12:07      -31.759892         0.326463
BFGS:    3 01:12:07      -31.769789         0.030995
BFGS:    4 01:12:07      -31.769876         0.000785
BFGS:    5 01:12:08      -31.769876         0.000002
BFGS:    6 01:12:08      -31.769876         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.764963265417082e-12 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([[4.170602576731154, -2.099144940433356e-35, 6.464383014887684e-37], [-3.396481506297933e-33, 4.170602576731154, -1.8109756297959127e-22], [3.9360611825683886e-33, -1.8109756298353198e-22, 4.170602576731154]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.76496327e-12 -5.76496327e-12 -5.76496327e-12 -1.99669258e-27
  5.76806145e-42  1.24355267e-57]
energy per atom =  -7.942468998316222
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0