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=-0.2464704229845124 stress="-1.9308615488406031 0.13740594595080996 -0.18130567554826454 0.13740594595080996 -1.4216054980901542 -0.01915096135155386 -0.18130567554826454 -0.01915096135155386 -1.364780846896812" pbc="T F F" Ti 0.28136194 0.18946557 0.15571493 -3.60146476 -13.22404278 -17.68885979 Ti 1.77666978 1.77925960 0.02498372 -0.09402132 10.96153900 -10.66666022 Ti 1.45903020 0.06683225 1.43927127 5.91348639 -12.89456427 13.39975708 Ti 0.21307765 1.46777718 1.37633299 -2.21800031 15.15706805 14.95576292