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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 14:52:53      -10.181969         0.571801
BFGS:    1 14:52:53      -10.192059         0.490216
BFGS:    2 14:52:53      -10.218985         0.053529
BFGS:    3 14:52:53      -10.219086         0.030300
BFGS:    4 14:52:53      -10.219113         0.024698
BFGS:    5 14:52:53      -10.219237         0.029760
BFGS:    6 14:52:53      -10.219398         0.031747
BFGS:    7 14:52:53      -10.219570         0.020948
BFGS:    8 14:52:53      -10.219629         0.008337
BFGS:    9 14:52:53      -10.219638         0.001912
BFGS:   10 14:52:53      -10.219638         0.000081
BFGS:   11 14:52:53      -10.219638         0.000011
BFGS:   12 14:52:53      -10.219638         0.000000
BFGS:   13 14:52:54      -10.219638         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0071266887717345e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[3.01966134e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.84202778e-34 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.182195229089495, -1.6797472133524936e-36, -2.1130427192876916e-32], [8.780356656535762e-37, 4.182195229089495, 7.429388476824803e-18], [-2.357796605706956e-32, 5.1606440954951026e-18, 2.960097542082185]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.29491207e-10 -1.29491207e-10 -3.00712669e-10 -9.91529792e-26
  2.48914470e-34  1.05873840e-49]
energy per atom =  -3.406546106437611
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0