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:Z:I:1:forces:R:3 energy=57637.63435466701 pbc="T F T" K 0.23342794 0.02619395 0.02619402 19 -61978.36915171 -54844.10618051 36983.68565354 K 1.42225596 1.46221978 -0.12913016 19 38261.23467805 119097.54589327 91469.61813583 K 1.42354211 0.23243734 1.67331234 19 74322.01533768 -125419.61377498 -105891.78367385 K 0.05509405 1.40810769 1.52014666 19 -50604.88086402 61166.17406222 -22561.52011552