element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tP3_123_e_a
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:
['4.1364', '0.69686201']
model name:
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  123
cell =  [[4.1364, 0, 0], [0, 4.1364, 0], [0, 0, 2.8825]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:25:49       -9.816077         0.595142
BFGS:    1 17:25:49       -9.829313         0.521076
BFGS:    2 17:25:49       -9.871136         0.118010
BFGS:    3 17:25:49       -9.872077         0.060175
BFGS:    4 17:25:49       -9.872213         0.073459
BFGS:    5 17:25:49       -9.872534         0.091960
BFGS:    6 17:25:50       -9.872469         0.116475
BFGS:    7 17:25:50       -9.874258         0.142910
BFGS:    8 17:25:50       -9.876355         0.122401
BFGS:    9 17:25:50       -9.877752         0.052225
BFGS:   10 17:25:50       -9.878334         0.013587
BFGS:   11 17:25:50       -9.878383         0.000365
BFGS:   12 17:25:50       -9.878383         0.000032
BFGS:   13 17:25:50       -9.878383         0.000001
BFGS:   14 17:25:50       -9.878383         0.000000
BFGS:   15 17:25:50       -9.878383         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.808069485103294e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[2.82275707e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.327164695552937, 4.5935164604237315e-36, 2.5921148905936466e-32], [1.389751681616057e-35, 4.327164695552938, -2.931822516317378e-17], [1.1398545310921902e-32, -2.0141293200791923e-17, 2.829980555768674]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.80806949e-12  2.80806949e-12 -1.20350257e-12  6.64496185e-28
 -5.03272949e-34  7.09616007e-50]
energy per atom =  -3.2927944647357177
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0