element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9855', '3.6620667', '0.33929747']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.33929747]]
spacegroup =  139
cell =  [[2.9855, 0, 0], [0, 2.9855, 0], [0, 0, 10.9331]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:38:58      -27.537177         0.456023
BFGS:    1 14:38:58      -27.547890         0.442921
BFGS:    2 14:38:59      -27.592388         0.317412
BFGS:    3 14:38:59      -27.596224         0.263654
BFGS:    4 14:38:59      -27.598810         0.230081
BFGS:    5 14:38:59      -27.606713         0.135564
BFGS:    6 14:38:59      -27.609810         0.171742
BFGS:    7 14:38:59      -27.611701         0.171077
BFGS:    8 14:38:59      -27.613823         0.160469
BFGS:    9 14:38:59      -27.620143         0.184068
BFGS:   10 14:38:59      -27.628506         0.242916
BFGS:   11 14:38:59      -27.637281         0.273638
BFGS:   12 14:38:59      -27.646473         0.287349
BFGS:   13 14:38:59      -27.655895         0.287950
BFGS:   14 14:38:59      -27.665298         0.276712
BFGS:   15 14:38:59      -27.674374         0.253563
BFGS:   16 14:38:59      -27.682727         0.217421
BFGS:   17 14:38:59      -27.689816         0.165853
BFGS:   18 14:38:59      -27.694816         0.092623
BFGS:   19 14:38:59      -27.696252         0.023703
BFGS:   20 14:38:59      -27.696434         0.010543
BFGS:   21 14:38:59      -27.696535         0.001038
BFGS:   22 14:38:59      -27.696535         0.000124
BFGS:   23 14:38:59      -27.696535         0.000000
BFGS:   24 14:38:59      -27.696535         0.000000
BFGS:   25 14:38:59      -27.696535         0.000000
Minimization converged after 25 steps.
Maximum force component: 2.1056821040726955e-10 eV/Angstrom
Maximum stress component: 1.0790802161743898e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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]
 [0.00000000e+00 3.16424135e-32 3.42720188e-01]
 [3.37728857e-33 5.53742236e-32 6.57279812e-01]
 [5.00000000e-01 5.00000000e-01 8.42720188e-01]
 [5.00000000e-01 5.00000000e-01 1.57279812e-01]]
cellpar =  Cell([[3.1163113751764957, -1.4251016311375522e-35, 1.4393801779862943e-32], [1.6838322615691077e-36, 3.1163113751764953, 6.380427760440155e-17], [1.7840297521945953e-32, 2.839626070068435e-16, 9.714631635892749]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.86695004e-43 -6.15501306e-27 -2.10568210e-10]
 [ 3.86695004e-43  6.15501306e-27  2.10568210e-10]
 [-3.86695004e-43 -6.15500345e-27 -2.10568210e-10]
 [-9.60287583e-33  6.15501306e-27  2.10568210e-10]]
stress =  [-1.07908022e-11 -1.07908022e-11 -8.59198898e-12 -4.60908466e-27
 -5.08936140e-35 -2.95777567e-50]
energy per atom =  -4.616089160456066
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0