500 Lattice="10.761815041630518 0.0 0.0 0.0 10.761815041630518 0.0 0.0 0.0 10.761815041630518" Properties=species:S:1:pos:R:3:forces:R:3 energy=7063.268538349483 stress="-12.903178307394409 -0.017458207623736597 -8.076949745628967e-05 -0.017458207623736597 -12.901677687367856 0.017574902787101342 -8.076949745628967e-05 0.017574902787101342 -12.90085183001431" free_energy=7063.268538349483 pbc="F F F" Ne 0.00283824 0.01612128 0.01753936 -20.05087118 -21.42694129 -21.24615352 Ne 1.05564662 1.09265210 0.01336320 2.44948001 -2.18301668 -40.47058805 Ne 1.07259282 0.00624991 1.05081665 -0.22549833 -36.36838950 5.42105084 Ne 0.00084033 1.06858366 1.03441627 -35.82806694 -0.21275545 8.66978821 Ne 2.13940406 0.01137602 0.00127729 4.47786306 -25.13356960 -27.39529791 Ne 3.29045890 1.09430075 0.04183146 -4.10318502 -2.00726392 -33.76731220 Ne 3.21423448 0.00379764 1.13387666 0.67676523 -34.21071251 -9.40617517 Ne 2.10890245 1.09402537 1.03796036 4.38638270 -6.03096824 1.77532191 Ne 4.33669186 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