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=10.577634024780863 stress="-0.6323261039390219 0.022640434423146043 -0.0777157134050814 0.022640434423146043 -1.4904190630069312 -0.7860229823527105 -0.0777157134050814 -0.7860229823527105 -1.5604189151619243" pbc="F T T" Ne 0.12968218 0.21980528 0.29977655 -6.34373412 -25.10197926 -26.50986436 Ne 1.68543805 1.45460942 0.07327937 4.09629261 4.83067329 -4.87573455 Ne 1.69989723 0.12961200 1.37425859 6.89581047 -5.62946984 5.71726525 Ne 0.15720406 1.26564846 1.38507600 -4.64836897 25.90077580 25.66833366