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_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_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 15:33:21      -31.760810         1.352927
BFGS:    1 15:33:21      -31.831706         1.090269
BFGS:    2 15:33:21      -31.940647         0.346342
BFGS:    3 15:33:21      -31.951695         0.033607
BFGS:    4 15:33:21      -31.951796         0.000900
BFGS:    5 15:33:21      -31.951796         0.000002
BFGS:    6 15:33:21      -31.951796         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.151502057314784e-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([[4.168983816836644, -1.6006984965750233e-32, 2.797543255577408e-33], [-7.27212626061171e-34, 4.168983816836644, -1.1057878813259133e-17], [2.0467604547249484e-33, -1.1057878813259135e-17, 4.168983816836644]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.15150206e-12 -8.15150206e-12 -8.15150206e-12  3.17219677e-29
  9.23419031e-37  3.54081279e-53]
energy per atom =  -7.987949115714443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0