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=16.861884206935414 stress="-2.773847559946833 1.2041352870587534 -0.3610945437403451 1.2041352870587534 -2.874714985827291 -0.3879722238144691 -0.3610945437403451 -0.3879722238144691 -2.1352533042592303" free_energy=16.861884206935414 pbc="T F F"
Ne       0.15839933       0.09073906       0.27219963     -11.10256775     -27.69621493     -31.28219299
Ne       1.43381326       1.45316417       0.25978669      11.99299820      10.37745278     -12.69726425
Ne       1.22592512       0.18365717       1.70288723      42.95835124     -38.30949741      22.68121894
Ne       0.08343331       1.29585403       1.44809454     -43.84878169      55.62825956      21.29823831