4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-27.650493321069405 stress="0.2666102803614409 0.2029590194086696 0.036441184717318345 0.2029590194086696 -0.512870123267902 -0.17928201655132792 0.036441184717318345 -0.17928201655132792 -0.4304597728070763" free_energy=-27.650493321069405 pbc="T T F"
Ti       2.78902040       2.53154252       0.06194135       2.37476784       1.72266742       1.32132364 
O       1.37455773       1.40855725       0.05114214      -2.64234008      -4.44721743      -9.61973882 
O       1.54997140       2.71436922       1.41062519      -7.31474387       8.89739054      10.10157709 
Ti       2.87728820       1.78055862       1.22950407       7.58231611      -6.17284053      -1.80316192