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=-1.822304731614789 stress="0.1419824928616982 0.01759347324260472 -0.004968396653812735 0.01759347324260472 0.14479568232181822 -0.00386984488285279 -0.004968396653812735 -0.00386984488285279 0.11713809836312213" pbc="T T T" user03 0.18449165 0.06451401 -0.05595095 0.84080454 -0.22254837 -0.91765194 user03 1.21642963 1.42425926 -0.22754711 -0.76122129 0.31493414 -0.80404317 user03 1.20048117 -0.26015455 1.79121974 -1.17835596 -0.77675564 0.99556790 user03 -0.02265829 1.79444704 1.76462622 1.09877271 0.68436987 0.72612721