32 Lattice="5.704064455083145 0.0 0.0 0.0 5.704064455083145 0.0 0.0 0.0 5.704064455083145" Properties=species:S:1:pos:R:3:forces:R:3 energy=8186.406565502431 stress="-179.32111039560414 3.82318571639276 1.28985854348281 3.82318571639276 -179.55400351996056 1.5578209967239798 1.28985854348281 1.5578209967239798 -178.39858054220997" free_energy=8186.406565502431 pbc="F F F" Kr 0.00673414 0.03706308 0.01575455 -774.08397058 -904.76066656 -735.91653208 Kr 1.41277982 1.36930132 0.00193878 194.98573499 345.60027793 -1241.35756004 Kr 1.47110736 0.01671371 1.42354955 -9.34752169 -1536.03329478 82.38735236 Kr 0.02046049 1.33856551 1.46338550 -1380.43515945 585.89827722 -387.63451176 Kr 2.85556833 0.02205041 0.03310372 272.37916307 -1013.61387829 -1072.56339858 Kr 4.28369671 1.47875421 0.01716908 1050.81722789 -273.58728037 -1078.33417027 Kr 4.32709054 0.04805975 1.42734824 891.96641966 -1040.01848136 92.81847322 Kr 2.90491896 1.37853711 1.45621310 -440.47432159 122.19009749 -28.64587869 Kr 0.05293336 2.85707954 0.04530518 -1353.82603723 -275.70625844 -1249.05634289 Kr 1.39583170 4.28561317 0.02724066 236.34569482 907.99140144 -1103.43133027 Kr 1.37047195 2.80228608 1.39213184 927.66143828 82.50155649 347.90861644 Kr 0.01464715 4.28243457 1.41282520 -923.98450146 992.52740995 340.23448452 Kr 2.85530921 2.79910622 0.00439708 -286.71163515 315.34553837 -1017.81781202 Kr 4.31012233 4.23045248 0.00833132 513.43139784 470.33821180 -476.63754644 Kr 4.24511466 2.79666315 1.46509156 1168.44339476 559.32650057 -9.68652846 Kr 2.81047317 4.33115890 1.39162237 272.42131136 754.55561972 225.65996726 Kr 0.00127580 0.00275037 2.79429949 -958.70249839 -1393.12507149 407.11630186 Kr 1.42999002 1.35795027 2.86235263 87.13477123 456.29762030 -303.41752633 Kr 1.39725459 0.04814343 4.29549278 -4.69923099 -1461.75725265 1155.95586802 Kr 0.05579709 1.39370510 4.23476091 -1389.37356175 318.70203081 1052.76814062 Kr 2.81914717 0.00118429 2.94085934 377.05245503 -1362.60186073 -454.57256774 Kr 4.31912674 1.42607810 2.88323750 1089.20170588 -130.55279709 247.02190178 Kr 4.23752338 0.00607369 4.30333544 690.53846120 -594.53082838 694.48995992 Kr 2.80229038 1.41716229 4.30048177 261.47677785 230.15548191 1348.52537150 Kr 0.05669086 2.81131107 2.79887498 -1458.95245551 215.50961485 221.93656618 Kr 1.47710421 4.25445575 2.90048575 -222.18850076 1295.63940328 -583.72866253 Kr 1.39802258 2.87559123 4.23214276 88.30797384 -257.84376183 1515.96834346 Kr 0.00207781 4.29102216 4.26088873 -672.03466512 550.93408417 493.80036914 Kr 2.81578852 2.75787786 2.84772300 142.87765809 536.59020998 -152.02405328 Kr 4.31673743 4.25028861 2.87280333 702.67730628 768.30773939 -264.72375061 Kr 4.22619457 2.86831780 4.29712634 989.23570521 -293.40577765 926.27386848 Kr 2.88006276 4.25081327 4.24711163 -82.14053762 1029.12613393 1006.68258724