element(s):
['Au', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7854']
model name:
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.7854, 0, 0], [0, 3.7854, 0], [0, 0, 3.7854]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:06:02      -14.781949         0.631358
BFGS:    1 16:06:02      -14.797697         0.532107
BFGS:    2 16:06:02      -14.833486         0.054901
BFGS:    3 16:06:02      -14.833827         0.004462
BFGS:    4 16:06:02      -14.833829         0.000037
BFGS:    5 16:06:02      -14.833829         0.000000
BFGS:    6 16:06:02      -14.833829         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0755663573867816e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', '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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.66817053e-36]]
cellpar =  Cell([[3.7350589061200004, -2.7584670527046363e-33, 8.999391885181873e-33], [-1.8176782057274517e-32, 3.7350589061200004, -1.753623638934311e-19], [3.5582392761484e-33, -1.7536236389341517e-19, 3.7350589061200004]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.07556636e-14  1.07556636e-14  1.07556636e-14  1.44431703e-30
 -2.94512881e-34 -3.65863149e-50]
energy per atom =  -3.708461120852527
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0