element(s):
['Cu']
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:
['2.8755']
model name:
Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:51:34       -6.968229        0.6064
BFGS:    1 17:51:34       -6.982335        0.4784
BFGS:    2 17:51:34       -7.004408        0.0293
BFGS:    3 17:51:35       -7.004488        0.0008
BFGS:    4 17:51:35       -7.004488        0.0000
BFGS:    5 17:51:35       -7.004488        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0375834433506582e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.931863453861032, -2.228358825890782e-32, -1.1132744139517374e-32], [-1.4014714812181486e-32, 2.9318634538610326, -1.6311016125161395e-18], [7.269763808720955e-33, -1.631101612516153e-18, 2.931863453861032]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.03758344e-12  1.03758344e-12  1.03758344e-12 -7.51542443e-29
  8.01034648e-61 -1.62992377e-61]
energy per atom =  -3.502244111509169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0