element(s):
['Pt', 'Ti']
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:
['3.9471']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9471, 0, 0], [0, 3.9471, 0], [0, 0, 3.9471]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:11:01      -25.030165         0.061060
BFGS:    1 15:11:01      -25.030305         0.045401
BFGS:    2 15:11:01      -25.030476         0.000257
BFGS:    3 15:11:01      -25.030476         0.000001
BFGS:    4 15:11:01      -25.030476         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6413433181763812e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.12510251e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.12510251e-16]
 [0.00000000e+00 1.12510251e-16 1.12510251e-16]]
cellpar =  Cell([[3.9437575713995603, 5.4106750964551365e-33, -2.226688518393166e-34], [-6.250881517511047e-33, 3.9437575713995603, -3.1286733201982713e-21], [-1.2056012702729767e-32, -3.128673320190915e-21, 3.9437575713995603]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.64134332e-12  1.64134332e-12  1.64134332e-12 -1.32875210e-27
 -6.60417835e-35  3.93634954e-50]
energy per atom =  -6.257619054880641
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0