element(s):
['Cu']
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:
['3.6146']
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 =  225
cell =  [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:55:32      -14.159998        0.0034
BFGS:    1 16:55:32      -14.159998        0.0030
BFGS:    2 16:55:32      -14.160000        0.0000
BFGS:    3 16:55:32      -14.160000        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.068396019096491e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.615000143199272, 1.1365725027013797e-33, 1.1383123761513318e-33], [-1.1365740304491363e-33, 3.615000143199272, -3.247125354689016e-23], [4.385427557562011e-34, -3.247125354689017e-23, 3.615000143199272]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.06839602e-12 -8.06839602e-12 -8.06839602e-12  3.58309425e-27
  2.94750020e-35 -9.81716599e-51]
energy per atom =  -3.5399999687032153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0