element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB_tP4_123_g_g
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5674', '4.1140453', '0.1176028', '0.63850998']
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.         0.1176028 ]
 [0.         0.         0.63850998]]
spacegroup =  123
cell =  [[2.5674, 0, 0], [0, 2.5674, 0], [0, 0, 10.5624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:26      -15.057510         1.003752
BFGS:    1 15:56:26      -15.075453         0.930426
BFGS:    2 15:56:26      -15.126419         0.651047
BFGS:    3 15:56:26      -15.158452         0.329804
BFGS:    4 15:56:26      -15.169653         0.095975
BFGS:    5 15:56:26      -15.169986         0.083646
BFGS:    6 15:56:26      -15.171125         0.022640
BFGS:    7 15:56:26      -15.171144         0.017530
BFGS:    8 15:56:26      -15.171178         0.003607
BFGS:    9 15:56:26      -15.171178         0.003185
BFGS:   10 15:56:26      -15.171180         0.000489
BFGS:   11 15:56:26      -15.171180         0.000153
BFGS:   12 15:56:26      -15.171180         0.000005
BFGS:   13 15:56:26      -15.171180         0.000000
BFGS:   14 15:56:26      -15.171180         0.000000
Minimization converged after 14 steps.
Maximum force component: 7.940532013530636e-10 eV/Angstrom
Maximum stress component: 3.026166885381938e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
basis =  [[0.00000000e+00 4.73452561e-33 1.17899858e-01]
 [3.93025618e-35 1.89381024e-32 8.82100142e-01]
 [0.00000000e+00 2.84071537e-32 6.35081197e-01]
 [6.99889796e-35 9.46905122e-33 3.64918803e-01]]
cellpar =  Cell([[2.6034185162155175, 4.38894237094747e-36, -9.723494953726428e-33], [3.5720677929094966e-36, 2.6034185162155192, -3.1725971885851575e-17], [-3.7747574591623583e-32, -1.3327575013424598e-16, 10.134376158347216]])
forces =  [[-2.95761495e-42 -1.04424816e-26  7.94053201e-10]
 [ 2.95761495e-42  1.04424816e-26 -7.94053201e-10]
 [-5.01400170e-34 -6.06548186e-27  4.61223184e-10]
 [-1.50420050e-33  6.06548198e-27 -4.61223184e-10]]
stress =  [-2.62050657e-11 -2.62050657e-11  3.02616689e-11 -1.26914988e-26
 -1.16793713e-34  5.18668278e-50]
energy per atom =  -3.7927949945353716
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0