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=4.013128333352364 stress="-16.79665874196641 5.445649739175404 0.8529436127169685 5.445649739175404 -13.328186770330719 0.5602415881439384 0.8529436127169685 0.5602415881439384 -10.792282985454243" pbc="F F F" Ne 0.03369179 0.02598936 -0.27670350 -3.72486815 -2.60023747 -2.93280015 Ne 1.46375436 1.40583543 -0.24440284 2.69426455 4.39706318 -3.64409785 Ne 1.20178472 0.29874826 1.27290972 9.91848569 -9.09108783 4.06033590 Ne -0.11909813 1.36136659 1.55835534 -8.88788210 7.29426212 2.51656211