element(s):
['Fe', '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:
['3.0053']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0053, 0, 0], [0, 3.0053, 0], [0, 0, 3.0053]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:18:52       -9.589526        0.3941
BFGS:    1 15:18:52       -9.595150        0.2712
BFGS:    2 15:18:52       -9.599986        0.0150
BFGS:    3 15:18:52       -9.600000        0.0005
BFGS:    4 15:18:52       -9.600000        0.0000
BFGS:    5 15:18:52       -9.600000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.694707225341881e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.979127380307987, -3.1339084841775917e-40, -1.7540108240261995e-32], [-4.928575557634936e-34, 2.979127380307987, -3.750859992457637e-18], [-3.474432806966036e-32, -3.750859992457619e-18, 2.979127380307987]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.69470723e-12 -4.69470723e-12 -4.69470723e-12 -2.08614907e-27
 -1.38880833e-33 -3.07603625e-49]
energy per atom =  -4.800000000468768
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0