16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=928.8355911859702 stress="-0.055658259224189856 0.003550697127223891 -0.01175216048127547 0.003550697127223891 -0.0631049844512816 9.249859733441313e-05 -0.01175216048127547 9.249859733441313e-05 -0.05359566811016732" pbc="F F F" Am 21.23110688 20.99816022 21.01283276 -67.87978178 -52.83883201 -81.31613013 Am 22.70071341 22.32858036 22.64720807 -452.84744604 461.06488950 -235.67495879 Am 24.09635700 20.95706424 21.27559981 -27.11079144 -433.59470433 -430.69300569 Am 25.21321713 22.71736445 22.28604778 583.40331480 124.78290612 156.86888617 Am 21.36885885 24.01804701 20.92098121 -126.56848109 -43.43201922 -80.03432816 Am 22.49996900 25.75551247 22.39758590 9.86623081 153.78495580 7.68399601 Am 23.99188881 24.06482696 20.84620060 -189.13717952 136.74190504 -364.39354049 Am 25.51821382 25.20575425 22.41795406 161.99284404 219.85563620 58.89671858 Am 21.15586213 20.90395547 23.83226600 -173.96866748 -180.53334521 78.99675916 Am 22.23049600 22.62036030 25.45631248 232.75523392 -380.73586595 452.96992182 Am 24.24843919 21.14432661 23.76023492 288.91384399 -492.92565190 579.86643326 Am 25.71516985 23.03055782 25.59314663 48.90297289 -86.75954805 30.91604116 Am 21.19877714 24.10881314 24.13250256 -556.35626832 194.06900283 -441.39835148 Am 22.60031152 25.55442580 25.35431870 -159.60188497 523.96114632 463.05231487 Am 23.78011711 24.13572127 24.05791531 324.47079389 -276.45573669 -262.35449161 Am 25.23387496 25.58501927 25.56603388 103.16526630 133.01526155 66.61373532