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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 14:54:45      -22.022175         0.163350
BFGS:    1 14:54:45      -22.023183         0.124840
BFGS:    2 14:54:45      -22.024621         0.002558
BFGS:    3 14:54:45      -22.024622         0.000042
BFGS:    4 14:54:45      -22.024622         0.000000
BFGS:    5 14:54:45      -22.024622         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.074545999324507e-15 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]
 [3.83947632e-65 1.12510251e-16 1.12510251e-16]]
cellpar =  Cell([[3.9570262038522723, 6.829101170062572e-37, 4.283468978796724e-33], [8.307214190032476e-33, 3.9570262038522723, 1.1408728937372288e-19], [2.5856821189541156e-32, 1.1408728937374368e-19, 3.9570262038522723]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.07454600e-15 -6.07454600e-15 -6.07454600e-15 -4.77600353e-30
 -6.57375317e-63 -4.84434040e-65]
energy per atom =  -5.506155514512162
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0