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=4.693370819363663 stress="-0.7242893400920053 -0.5080687528281873 0.18840642929849308 -0.5080687528281873 -1.029428103387827 -0.24946265897000472 0.18840642929849308 -0.24946265897000472 -0.780661906118298" pbc="T F T" Kr -0.17067379 0.17661605 0.10576935 2.19248529 -9.88497768 -8.22597895 Kr 1.72301363 1.66739062 -0.29335880 -1.44258051 3.44652222 1.98122251 Kr 1.79027304 0.26610387 1.67940229 -17.08178640 -16.19114620 2.94148388 Kr -0.13423890 1.24183504 1.25496854 16.33188162 22.62960166 3.30327256