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=4.3017265152 stress="-5.924692163523117 0.008094797948533329 1.1414731189372798 0.008094797948533329 -7.007536407724364 -1.1575285872372303 1.1414731189372798 -1.1575285872372303 -6.4168106454122285" pbc="F F F" Ti -0.12320595 -0.04105180 0.20259391 -11.48365310 -13.08314136 -7.35779688 Ti 1.56504129 1.20865944 -0.13449789 12.93783559 6.86686037 -13.08931481 Ti 1.28802619 0.22277084 1.68584377 9.29099401 -12.26331089 8.80567367 Ti 0.18362810 1.69581920 1.64685009 -10.74517650 18.47959188 11.64143802