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=42.48101298604464 stress="-4.606977390197532 -1.017535084771516 -0.16333587200666072 -1.017535084771516 -4.63229060323391 -1.1746661494526482 -0.16333587200666072 -1.1746661494526482 -4.263778071682767" pbc="T T F" Ar 0.01477119 0.29553441 0.00601457 -47.73958462 -49.85019737 -61.36613222 Ne 1.20763472 1.42139044 0.12771106 42.76422314 35.01856050 -14.47424526 Ne 1.27521450 -0.14610980 1.26269441 23.59205206 -8.45891223 18.83702832 Ar 0.02805905 1.28502229 1.64120549 -18.61669057 23.29054909 57.00334916