element(s):
['Al', 'Pt']
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:
['3.8941']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8941, 0, 0], [0, 3.8941, 0], [0, 0, 3.8941]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:35      -20.449147         1.633940
BFGS:    1 16:43:35      -20.550300         1.258286
BFGS:    2 16:43:35      -20.682595         0.521237
BFGS:    3 16:43:35      -20.712775         0.055874
BFGS:    4 16:43:35      -20.713149         0.002921
BFGS:    5 16:43:35      -20.713150         0.000018
BFGS:    6 16:43:35      -20.713150         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.876963645402548e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.84773668e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.92386834e-34]]
cellpar =  Cell([[4.004286375749374, 7.433837255730374e-33, -1.9849189863047602e-34], [8.870242877003849e-33, 4.004286375749374, -1.1368376992755213e-17], [3.8106016424831536e-33, -1.1368376992755215e-17, 4.004286375749374]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.87696365e-10 -3.87696365e-10 -3.87696365e-10  1.65828721e-26
  3.20301490e-34  9.16372456e-51]
energy per atom =  -5.17828753607226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0