element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2022']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2022, 0, 0], [0, 3.2022, 0], [0, 0, 3.2022]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:33:36      -19.294923         9.877361
BFGS:    1 11:33:36      -20.096362         1.489234
BFGS:    2 11:33:36      -20.121072         0.384605
BFGS:    3 11:33:36      -20.122944         0.021164
BFGS:    4 11:33:36      -20.122950         0.000350
BFGS:    5 11:33:36      -20.122950         0.000000
BFGS:    6 11:33:36      -20.122950         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.887376804029757e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.301709656965039, 2.2895157888801263e-33, -4.573586328971526e-33], [1.2459116794516448e-32, 3.301709656965039, 4.935890564731347e-19], [1.4176762226359214e-32, 4.935890564731226e-19, 3.301709656965039]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.88737680e-13 -2.88737680e-13 -2.88737680e-13 -3.83653572e-29
  9.04550226e-33  1.68482497e-48]
energy per atom =  -10.061475036921264
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0