108 Lattice="6.402536872898952 0.0 0.0 0.0 6.402536872898952 0.0 0.0 0.0 6.402536872898952" Properties=species:S:1:pos:R:3:forces:R:3 energy=7290.9972484835125 stress="-29630.740901393365 -215.84778708507906 117.89791962021377 -215.84778708507906 -29657.094662917567 -297.24640284770067 117.89791962021377 -297.24640284770067 -29578.999624607233" pbc="F F F" Ne -0.01702512 -0.04144999 0.03071412 -188.85903333 -186.42717374 -221.61892066 Ne 1.02792146 1.10682592 -0.01306173 88.39730274 -41.09936817 -436.50075936 Ne 1.03088097 0.04063272 1.05966824 142.48113278 -459.50868885 20.01519127 Ne 0.03563948 1.06671399 1.02113532 -488.18316622 96.76965276 143.70584077 Ne 2.08379016 0.02795858 -0.01260333 70.25632817 -242.21294031 -242.04998255 Ne 3.21839250 1.10128305 -0.01670991 -101.33205944 -150.25593834 -365.99228425 Ne 3.21387132 0.03732271 1.10121322 -89.79084261 -498.48089265 -214.45054531 Ne 2.14658933 1.05388752 1.07465865 -27.79674924 67.85975694 -106.82063381 Ne 4.29567598 0.00877192 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