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=85.49371832963689 stress="-6.464664741464202 1.2438645276204594 2.351339603389031 1.2438645276204594 -9.831212006870082 1.7192932162116585 2.351339603389031 1.7192932162116585 -8.255605790528103" pbc="T T T" Ar 0.27559981 -0.28678287 0.21736445 -66.10919459 133.47343263 -36.21733957 Ne 1.28604778 1.70384132 -0.18953994 76.85838033 -79.92211483 -22.94302459 Ne 1.23214964 0.00041025 1.75551247 30.82144740 17.56512787 -11.55780853 Ar -0.14555376 1.49188881 1.27058121 -41.57063313 -71.11644566 70.71817269