element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5026', '0.76533558']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.5026, 0, 0], [0, 4.5026, 0], [0, 0, 3.446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:57:06      -18.559144         0.669088
BFGS:    1 16:57:06      -18.575806         0.601597
BFGS:    2 16:57:06      -18.632888         0.225371
BFGS:    3 16:57:06      -18.641161         0.022726
BFGS:    4 16:57:06      -18.641246         0.002829
BFGS:    5 16:57:06      -18.641246         0.002100
BFGS:    6 16:57:07      -18.641247         0.001673
BFGS:    7 16:57:07      -18.641247         0.002525
BFGS:    8 16:57:07      -18.641249         0.003832
BFGS:    9 16:57:07      -18.641253         0.005686
BFGS:   10 16:57:07      -18.641261         0.007284
BFGS:   11 16:57:07      -18.641272         0.006886
BFGS:   12 16:57:07      -18.641280         0.003964
BFGS:   13 16:57:07      -18.641282         0.000918
BFGS:   14 16:57:07      -18.641282         0.000043
BFGS:   15 16:57:07      -18.641282         0.000005
BFGS:   16 16:57:07      -18.641282         0.000000
BFGS:   17 16:57:07      -18.641282         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.623279368742209e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.7410504e-34 5.0000000e-01]]
cellpar =  Cell([[4.424754029938044, -1.1474934072595656e-36, -3.4714851159327e-32], [1.2229304051901591e-36, 4.424754029938045, -8.698026017111603e-18], [8.005971137710295e-33, -6.741824874342724e-18, 3.352867910611959]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.01588038e-10  3.01588038e-10  3.62327937e-10 -4.41872556e-26
 -5.19271995e-35  9.75291830e-63]
energy per atom =  -4.660320591254733
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0