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:
Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000
==== 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 17:20:37      -31.254404        1.0103
BFGS:    1 17:20:37      -31.295995        0.9098
BFGS:    2 17:20:37      -31.403832        0.5151
BFGS:    3 17:20:37      -31.446198        0.0335
BFGS:    4 17:20:37      -31.446354        0.0038
BFGS:    5 17:20:38      -31.446356        0.0000
BFGS:    6 17:20:38      -31.446356        0.0000
BFGS:    7 17:20:38      -31.446356        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.874000589181174e-15 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([[4.140231348887922, 1.754337087758891e-34, 4.726935762866512e-35], [-3.3661312328977836e-35, 4.140231348887922, 2.7558120843765218e-21], [1.1995318157373313e-35, 2.7558120843766056e-21, 4.140231348887922]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.87400059e-15 -1.87400059e-15 -1.87400059e-15  5.84662595e-31
  6.39349814e-66 -1.94169445e-66]
energy per atom =  -7.8615898861912274
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0