element(s):
['Cu', 'Ti']
AFLOW prototype label:
A3B2_tI10_139_ae_e
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1589', '4.6992624', '0.79055953', '0.60362704']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.79055953]
 [0.         0.         0.60362704]]
spacegroup =  139
cell =  [[3.1589, 0, 0], [0, 3.1589, 0], [0, 0, 14.8445]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:52:53      -42.669831         0.447543
BFGS:    1 14:52:53      -42.687169         0.413560
BFGS:    2 14:52:53      -42.773521         0.279007
BFGS:    3 14:52:53      -42.785224         0.189188
BFGS:    4 14:52:54      -42.788172         0.173958
BFGS:    5 14:52:54      -42.805390         0.082902
BFGS:    6 14:52:54      -42.806060         0.083923
BFGS:    7 14:52:54      -42.807442         0.061391
BFGS:    8 14:52:54      -42.808257         0.040634
BFGS:    9 14:52:54      -42.808644         0.047049
BFGS:   10 14:52:54      -42.808726         0.047348
BFGS:   11 14:52:54      -42.808812         0.046703
BFGS:   12 14:52:54      -42.809039         0.044683
BFGS:   13 14:52:54      -42.809561         0.042483
BFGS:   14 14:52:54      -42.810684         0.064945
BFGS:   15 14:52:55      -42.812206         0.071412
BFGS:   16 14:52:55      -42.813638         0.058372
BFGS:   17 14:52:55      -42.814649         0.027908
BFGS:   18 14:52:55      -42.814825         0.005070
BFGS:   19 14:52:55      -42.814834         0.001672
BFGS:   20 14:52:55      -42.814837         0.000065
BFGS:   21 14:52:55      -42.814837         0.000006
BFGS:   22 14:52:55      -42.814837         0.000001
BFGS:   23 14:52:55      -42.814837         0.000000
BFGS:   24 14:52:55      -42.814837         0.000000
BFGS:   25 14:52:55      -42.814837         0.000000
Minimization converged after 25 steps.
Maximum force component: 2.3336438329847354e-09 eV/Angstrom
Maximum stress component: 5.895137129122984e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.24015389e-33 1.20180368e-32 7.93940623e-01]
 [0.00000000e+00 3.00450919e-33 2.06059377e-01]
 [5.00000000e-01 5.00000000e-01 2.93940623e-01]
 [5.00000000e-01 5.00000000e-01 7.06059377e-01]
 [0.00000000e+00 1.00150306e-32 6.03258024e-01]
 [8.14612282e-34 5.00751532e-33 3.96741976e-01]
 [5.00000000e-01 5.00000000e-01 1.03258024e-01]
 [5.00000000e-01 5.00000000e-01 8.96741976e-01]]
cellpar =  Cell([[3.0768631876087373, 2.5512878760918272e-37, -2.6852393408856237e-32], [1.1358280459751839e-36, 3.0768631876087373, 4.288305820382953e-18], [1.4948225992257398e-32, 2.8572868255772975e-17, 15.017112218985968]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.84439501e-32 -1.79485480e-27 -9.43333700e-10]
 [ 2.84439502e-32  1.79488324e-27  9.43333700e-10]
 [ 3.79252669e-32 -1.79486902e-27 -9.43333700e-10]
 [ 9.48131672e-33  1.79488324e-27  9.43333700e-10]
 [ 9.48131671e-33 -4.44019441e-27 -2.33364383e-09]
 [ 1.89626334e-32  4.44019441e-27  2.33364383e-09]
 [-2.32293898e-42 -4.44019441e-27 -2.33364383e-09]
 [ 3.79252669e-32  4.44019441e-27  2.33364383e-09]]
stress =  [-5.05862380e-11 -5.05862380e-11 -5.89513713e-11 -4.50333257e-26
  5.33526312e-34  4.07564123e-49]
energy per atom =  -4.281483682581737
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0