element(s):
['Cu', 'Pt']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7123']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7123, 0, 0], [0, 3.7123, 0], [0, 0, 3.7123]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:41:49      -16.719439        0.6279
BFGS:    1 03:41:49      -16.735327        0.5528
BFGS:    2 03:41:49      -16.785213        0.1033
BFGS:    3 03:41:49      -16.786864        0.0080
BFGS:    4 03:41:49      -16.786874        0.0001
BFGS:    5 03:41:49      -16.786874        0.0000
BFGS:    6 03:41:49      -16.786874        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1238026570074459e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt']
basis =  [[2.81369492e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.98132169e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.98132169e-17]
 [1.35365918e-64 5.98132169e-17 5.98132169e-17]]
cellpar =  Cell([[3.6476650038214595, -3.425364306570993e-32, -1.644877133431644e-32], [3.137101125174849e-33, 3.6476650038214595, 3.4546879800580934e-19], [1.9454722726443126e-32, 3.454687980057856e-19, 3.6476650038214595]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.12380266e-13 -1.12380266e-13 -1.12380266e-13  8.77184627e-31
 -1.38957447e-33 -6.44839564e-51]
energy per atom =  -4.196718559938409
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0