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=-0.8363420558526297 stress="0.07028482282572605 -0.0011711650937236643 0.012113110805505957 -0.0011711650937236643 0.043070535244781404 -0.008826966567376386 0.012113110805505957 -0.008826966567376386 0.07679337496019281" pbc="T F T" user14 -0.13758335 0.04408544 -0.24622983 -0.41095530 0.39876578 -0.37000870 user14 1.67757359 1.71959237 0.19556580 0.11843311 -0.36717460 0.17222683 user14 1.78585690 0.26390276 1.49293272 0.45823729 0.35614369 0.26497770 user14 0.10478351 1.65855832 1.52235399 -0.16571510 -0.38773486 -0.06719583