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:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_002
==== 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 16:11:04      -16.136009         0.981850
BFGS:    1 16:11:04      -16.168626         0.563362
BFGS:    2 16:11:05      -16.183456         0.049504
BFGS:    3 16:11:05      -16.183564         0.002193
BFGS:    4 16:11:05      -16.183565         0.000008
BFGS:    5 16:11:05      -16.183565         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.127040702583506e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3023439163004418, 2.2176432194134273e-32, 1.0239724448383186e-33], [1.0161130132316884e-32, 3.3023439163004418, 7.300542691761634e-21], [1.153580702746872e-32, 7.300542691748722e-21, 3.3023439163004418]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.12704070e-11 -7.12704070e-11 -7.12704070e-11 -1.24901658e-26
  4.70938957e-35  4.89069637e-51]
energy per atom =  -8.091782331784094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0