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:
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_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 16:53:51      -14.162872        0.0086
BFGS:    1 16:53:51      -14.162875        0.0077
BFGS:    2 16:53:51      -14.162886        0.0000
BFGS:    3 16:53:51      -14.162886        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.672501062403908e-10 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([[3.613580629480587, -7.993900091345835e-35, 5.845681344301543e-35], [7.109302493913696e-35, 3.613580629480587, -6.298856039213336e-24], [-1.2084813265555472e-34, -6.2988560391689235e-24, 3.613580629480587]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.67250106e-10  1.67250106e-10  1.67250106e-10 -7.35534296e-26
 -2.45818031e-36  5.66475109e-52]
energy per atom =  -3.5407265859801482
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0