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 16:19:39      -31.254404         1.010311
BFGS:    1 16:19:39      -31.295995         0.909836
BFGS:    2 16:19:39      -31.403832         0.515126
BFGS:    3 16:19:39      -31.446198         0.033534
BFGS:    4 16:19:40      -31.446354         0.003807
BFGS:    5 16:19:40      -31.446356         0.000031
BFGS:    6 16:19:40      -31.446356         0.000000
BFGS:    7 16:19:40      -31.446356         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3936390318585992e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.54271948e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.140231348887923, 1.4636034374195198e-34, -1.6697538698230123e-35], [-1.3251088396676845e-34, 4.140231348887923, 2.7558206258954034e-21], [1.8213430738755168e-34, 2.7558206258953974e-21, 4.140231348887923]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39363903e-15 -1.39363903e-15 -1.39363903e-15  7.92224214e-31
  8.84445428e-65 -1.98099323e-65]
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