element(s):
['Cu', 'Pt']
AFLOW prototype label:
AB_hR2_166_a_b
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:
['2.7273125', '4.7092655']
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.  0. ]
 [0.  0.  0.5]]
spacegroup =  166
cell =  [[2.7273, 0, 0], [-1.36365, 2.3619110837413, 0], [0, 0, 12.8436]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:22:03      -28.511174         0.566662
BFGS:    1 12:22:03      -28.523457         0.510886
BFGS:    2 12:22:03      -28.566279         0.153370
BFGS:    3 12:22:03      -28.568108         0.055016
BFGS:    4 12:22:03      -28.568192         0.056110
BFGS:    5 12:22:03      -28.569064         0.037521
BFGS:    6 12:22:03      -28.569223         0.013631
BFGS:    7 12:22:03      -28.569247         0.002080
BFGS:    8 12:22:03      -28.569248         0.000195
BFGS:    9 12:22:03      -28.569248         0.000008
BFGS:   10 12:22:03      -28.569248         0.000000
BFGS:   11 12:22:03      -28.569248         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.306890629606598e-31 eV/Angstrom
Maximum stress component: 1.6327137598440153e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 2.05432527e-33]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.00000000e+00 1.00000000e+00 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 8.33333333e-01]
 [3.33333333e-01 6.66666667e-01 1.66666667e-01]]
cellpar =  Cell([[2.7026367104705105, 2.44635660511631e-18, 3.836376035717336e-32], [-1.3513183552352552, 2.3405520484678717, 7.663047188229038e-32], [1.8033406058279122e-31, 4.623493352793876e-31, 12.636281871181271]])
forces =  [[ 2.59097762e-32  6.41100697e-33  3.46120443e-31]
 [ 1.85069830e-32 -6.41100697e-33  4.84568620e-31]
 [ 4.93953091e-63  1.26642123e-62  3.46120443e-31]
 [ 1.18548742e-62  3.03941096e-62  8.30689063e-31]
 [ 7.90324946e-63  2.02627397e-62  5.53792709e-31]
 [ 1.18548742e-62  3.03941096e-62  8.30689063e-31]]
stress =  [-1.63271376e-10 -1.63271376e-10 -9.07610321e-11  2.18587239e-39
  7.57470345e-40 -2.96693491e-26]
energy per atom =  -4.761541308243111
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0