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=5.792754161071315 stress="-69.9124746747334 7.286843660434318 14.583278085818208 7.286843660434318 -74.81217989366164 19.283972515889467 14.583278085818208 19.283972515889467 -77.09124453331269" pbc="F F F" U -0.01494438 -0.14889841 -0.14122057 -15.66176226 -14.75546108 -10.69468986 U 1.42770715 1.44958574 0.13117669 29.05037820 30.18720639 -39.98342598 U 1.42419048 0.10502677 1.60605866 19.22671006 -35.18415794 30.09383211 U -0.02515655 1.64797336 1.57855230 -32.61532600 19.75241263 20.58428372