element(s):
['Ni', '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:
['3.6072']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6072, 0, 0], [0, 3.6072, 0], [0, 0, 3.6072]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:29:49      -19.815635         0.844098
BFGS:    1 10:29:49      -19.844363         0.743691
BFGS:    2 10:29:49      -19.923021         0.296475
BFGS:    3 10:29:49      -19.936542         0.028303
BFGS:    4 10:29:49      -19.936660         0.000892
BFGS:    5 10:29:49      -19.936660         0.000002
BFGS:    6 10:29:49      -19.936660         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.965327252321688e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [6.46714248e-65 1.00000000e+00 1.00000000e+00]]
cellpar =  Cell([[3.523868950394349, 7.538252948579723e-33, -7.168935443967086e-33], [-3.51422975840701e-33, 3.523868950394349, 4.72312531494304e-18], [-5.7258559839422e-33, 4.723125314943051e-18, 3.523868950394349]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.96532725e-11 -1.96532725e-11 -1.96532725e-11  4.03422194e-27
  0.00000000e+00  3.75508933e-60]
energy per atom =  -4.9841650735872465
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0