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=107.30923426351077 stress="-15.68523168763999 1.4912174211772984 2.4492921689373706 1.4912174211772984 -14.756922845274913 2.551360141961049 2.4492921689373706 2.551360141961049 -11.886915195337414" pbc="T T F" W -0.12320595 -0.04105180 0.20259391 55.21002672 -23.92162086 -110.44329392 W 1.56504129 1.20865944 0.22277084 -10.41181636 71.88999674 -107.23371525 W 1.68584377 0.03765289 1.69581920 4.95467723 18.01093338 118.96699519 W 0.35681350 1.76959405 1.67626233 -49.75288758 -65.97930926 98.71001398