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_ApostolMishin_2011_AlCu__SM_667696763561_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 16:55:31      -14.159998        0.0034
BFGS:    1 16:55:31      -14.159999        0.0030
BFGS:    2 16:55:31      -14.160000        0.0000
BFGS:    3 16:55:31      -14.160000        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9255655219916796e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.66487763e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.32975527e-36]]
cellpar =  Cell([[3.614999057434473, -7.483759324043501e-33, 8.128618988272023e-36], [-7.956746988954175e-33, 3.614999057434473, -7.887507625656007e-20], [-1.831656229270909e-33, -7.887507625655892e-20, 3.614999057434473]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.92556552e-11 -1.92556552e-11 -1.92556552e-11  3.41744820e-28
  3.93000263e-35 -1.12353918e-51]
energy per atom =  -3.5399733862007956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0