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=111.40836597017527 stress="-14.40350579013565 -0.29118865285159007 -4.070337792552903 -0.29118865285159007 -12.738144492325635 0.8622177271423342 -4.070337792552903 0.8622177271423342 -16.356908076964583" free_energy=111.40836597017527 pbc="F T T"
In       0.29119256       2.80691229       0.32712603    -104.88471627      97.21520214     -31.96334400 
P       1.44564997       1.43202023       2.94276074     187.12933917     -91.70975735      45.13362675 
In       1.50795817       2.76680101       1.27896024     125.18256519      86.02461006      42.93170982 
P       0.19215061       1.66717744       1.79588664    -207.42718809     -91.53005484     -56.10199257