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=14.780304184875186 stress="-2.959351178676138 -0.22126859909541718 0.17208316344377889 -0.22126859909541718 -1.6851166320693831 0.025523227691578682 0.17208316344377889 0.025523227691578682 -3.1885683308858503" free_energy=14.780304184875186 pbc="T F T" Ti 2.95631248 0.24843919 0.14432661 1.76976516 -16.31842022 -3.25199113 Ti 1.26023492 1.74849743 0.25911890 10.39008348 15.70913106 -7.71375962 Ti 1.69019325 0.19877714 1.60881314 -4.87115074 -15.06196372 2.81286968 Ti 0.13250256 1.60031152 1.55442580 -7.28869790 15.67125288 8.15288108