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=3.0345808881471252 stress="-42.678715047951805 9.258644820801788 -3.219241484224078 9.258644820801788 -46.90195725923389 1.8651755730328432 -3.219241484224078 1.8651755730328432 -39.538187777961454" pbc="F F F" Ti -0.12320595 -0.04105180 0.20259391 -15.25528160 -10.41664066 -9.85941083 Ti 1.56504129 1.20865944 -0.13449789 11.01287438 8.99924671 -13.81974324 Ti 1.28802619 0.22277084 1.68584377 20.63073588 -22.53399671 17.46183213 Ti 0.18362810 1.69581920 1.64685009 -16.38832867 23.95139066 6.21732194