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=10.015771905862561 stress="-1.0504268638395984 -0.2223514185438716 0.07086080139970502 -0.2223514185438716 -1.4832690191465678 0.24132056160593898 0.07086080139970502 0.24132056160593898 -1.1413423323026852" pbc="F T F" Ne 0.29768454 -0.01726309 0.17089611 -12.25473045 -6.26630690 -8.95472226 Ne 1.47011124 1.20220318 0.26235339 16.30902109 10.87913810 -13.14887948 Ne 1.34838096 0.21005355 1.71211731 8.77332532 -6.42274801 12.86661644 Ne 0.29594673 1.65710459 1.49042854 -12.82761596 1.80991680 9.23698530