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_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_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 17:51:38       -6.988442        0.0719
BFGS:    1 17:51:38       -6.988641        0.0573
BFGS:    2 17:51:38       -6.988986        0.0006
BFGS:    3 17:51:38       -6.988986        0.0000
BFGS:    4 17:51:39       -6.988986        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.973444932942516e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8682701140732374, -3.588127837798934e-34, -2.5465068596580165e-34], [-1.818819879495546e-33, 2.868270114073238, 1.3596342610174622e-20], [3.7266956105069748e-34, 1.3596342610174658e-20, 2.8682701140732374]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.97344493e-11  6.97344493e-11  6.97344493e-11  2.35775377e-27
 -6.24265195e-35 -2.11546733e-51]
energy per atom =  -3.4944931928861065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0