element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6765']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6765, 0, 0], [0, 3.6765, 0], [0, 0, 3.6765]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:43      -14.560789         0.246839
BFGS:    1 16:40:43      -14.563253         0.219127
BFGS:    2 16:40:43      -14.572720         0.009566
BFGS:    3 16:40:43      -14.572739         0.000255
BFGS:    4 16:40:43      -14.572739         0.000000
BFGS:    5 16:40:43      -14.572739         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8825198213456237e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.22992729e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.58568943e-39 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.58568943e-39]]
cellpar =  Cell([[3.706571808552463, 4.4967917899164484e-33, 1.3408919107107844e-35], [3.88135415866933e-33, 3.706571808552463, 9.339877428767229e-23], [-3.130878642695932e-33, 9.33987742871512e-23, 3.706571808552463]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.88251982e-12 -1.88251982e-12 -1.88251982e-12  3.53592032e-28
 -3.73821591e-35  3.30777171e-51]
energy per atom =  -3.643184754893468
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0