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=-0.6207960094800533 stress="0.06662040757186531 -0.0009143095359763877 0.004816828046186949 -0.0009143095359763877 0.03673216160394378 0.00044435204730988 0.004816828046186949 0.00044435204730988 0.03550602414121062" pbc="T F F" user08 0.43302869 0.14160859 0.08960260 0.20755279 0.39253145 0.33533934 user08 1.76031862 1.40635434 0.02879469 -0.11860434 -0.38616036 0.23112282 user08 1.41497679 0.20518570 1.73361413 -0.26128341 0.47425608 -0.31008454 user08 0.03154341 1.25166969 1.78563983 0.17233496 -0.48062717 -0.25637763