element(s):
['Pt', '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:
['3.2038']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2038, 0, 0], [0, 3.2038, 0], [0, 0, 3.2038]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:42:09      -12.480004         0.442904
BFGS:    1 21:42:09      -12.486673         0.258694
BFGS:    2 21:42:09      -12.489993         0.011984
BFGS:    3 21:42:09      -12.490000         0.000303
BFGS:    4 21:42:10      -12.490000         0.000000
BFGS:    5 21:42:10      -12.490000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.050232475353456e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1800452792270497, 1.9515638877029775e-33, 4.4734438323639814e-33], [5.187199906770089e-33, 3.1800452792270497, 2.8869645647546567e-19], [-4.452868358240571e-33, 2.886964564754682e-19, 3.1800452792270497]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.05023248e-13 -6.05023248e-13 -6.05023248e-13  3.83835528e-32
  4.06286692e-34  2.25428062e-52]
energy per atom =  -6.245000000428637
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0