4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=335.73243939428954 stress="-509.39732787599684 22.03238932227544 -370.4818061064197 22.03238932227544 -139.69288687562636 -79.68971893889407 -370.4818061064197 -79.68971893889407 -439.90055826227956" pbc="T T F" user01 0.07188492 0.19581920 0.14685009 -2128.79029665 -862.53404117 -2192.43065320 user01 1.01959405 0.92626233 0.20996341 -879.52759134 381.30033987 -1055.49162002 user01 0.51248733 0.34478850 0.56939542 2757.51748289 181.26808259 1956.31041394 user01 -0.04225341 0.77461451 0.70789336 250.80040511 299.96561871 1291.61185928