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:Z:I:1:forces:R:3 energy=8.41601190388 pbc="T F T" Ne 0.12418668 -0.09051133 0.19462846 10 -5.88911549 -7.72499431 -5.42864396 Ne 1.16337955 1.27846858 0.17817145 10 7.81382664 9.01468464 -9.43343986 Ne 1.42470151 0.06235191 1.31668137 10 6.53359604 -7.73023439 6.82747909 Ne 0.15157940 1.24396547 1.41257404 10 -8.45830720 6.44054407 8.03460474