element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB_tP4_129_c_c
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:
['3.1541', '1.9122412', '0.60589439', '0.14761406']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.         0.5        0.60589439]
 [0.         0.5        0.14761406]]
spacegroup =  129
cell =  [[3.1541, 0, 0], [0, 3.1541, 0], [0, 0, 6.0314]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:58      -17.559546         0.132069
BFGS:    1 14:56:58      -17.560394         0.121602
BFGS:    2 14:56:58      -17.563469         0.054059
BFGS:    3 14:56:58      -17.563611         0.055261
BFGS:    4 14:56:59      -17.565033         0.082786
BFGS:    5 14:56:59      -17.565234         0.081707
BFGS:    6 14:56:59      -17.567705         0.041255
BFGS:    7 14:56:59      -17.567901         0.026815
BFGS:    8 14:56:59      -17.567946         0.027493
BFGS:    9 14:56:59      -17.568030         0.019890
BFGS:   10 14:56:59      -17.568069         0.008775
BFGS:   11 14:56:59      -17.568081         0.001929
BFGS:   12 14:56:59      -17.568082         0.000260
BFGS:   13 14:56:59      -17.568082         0.000023
BFGS:   14 14:56:59      -17.568082         0.000001
BFGS:   15 14:56:59      -17.568082         0.000000
BFGS:   16 14:56:59      -17.568082         0.000000
Minimization converged after 16 steps.
Maximum force component: 5.304865035951788e-10 eV/Angstrom
Maximum stress component: 2.820657846022967e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 6.05396923e-01]
 [5.00000000e-01 9.92842470e-34 3.94603077e-01]
 [1.54069694e-33 5.00000000e-01 1.46714854e-01]
 [5.00000000e-01 0.00000000e+00 8.53285146e-01]]
cellpar =  Cell([[3.1037027577085268, -4.813758799625959e-37, 1.274727621045782e-37], [5.428489406420041e-37, 3.1037027577085263, 6.742528028953525e-18], [2.8928579467970474e-53, 1.2505898550873046e-17, 6.163933546563544]])
forces =  [[ 2.48967919e-63  1.07629134e-27  5.30486504e-10]
 [-2.48968040e-63 -1.07629821e-27 -5.30486504e-10]
 [ 1.70495272e-63  7.37051534e-28  3.63281571e-10]
 [-1.70495513e-63 -7.37065282e-28 -3.63281571e-10]]
stress =  [-2.82065785e-11 -2.82065785e-11 -1.83795159e-12 -4.30192937e-28
  0.00000000e+00  5.54303767e-64]
energy per atom =  -4.392020382638585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0