32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=178405.833079 stress="-6843.787935693081 2401.286642653017 679.7839696407267 2401.286642653017 -10376.202452549811 -2851.0780025027284 679.7839696407267 -2851.0780025027284 -7180.986877929647" pbc="F F F" F -0.03719901 0.22580956 0.52339052 -36.39400083 -17.65395647 -28.31561713 Br 1.09423463 1.58797106 -0.21234276 84190.87080352 -117428.14485456 -8093.67690781 I 1.13563129 0.36102497 2.02847187 -17057.61563613 -8969.54469425 -15036.06933011 Li -0.00053564 1.87993187 1.66377072 -14296.54146151 14744.56632422 -7699.88194353 Cs 3.10406520 0.25675414 0.06852627 -56297.61808193 -39610.48468346 -4205.71293477 F 4.41666459 1.15705394 0.15867209 56921.30409769 39397.54195665 3366.73995057 Rb 4.61960727 0.09409531 1.84422674 266.63201138 -9630.28653483 -10848.91252290 Na 2.68898859 1.25833761 1.26608124 98.42014153 239.62477695 28.05640850 K -0.01076788 3.12362568 -0.11024445 -84895.74210388 117581.05826156 7782.67275290 Cs 1.25765027 4.52874707 -0.12604615 -5108.62831519 4200.23270507 -1125.70409609 Li 1.42730531 3.18202030 1.38606476 -958.33160539 40.00737357 746.74475440 K 0.14409663 4.62604225 1.99321537 -3752.91974980 41637.71673546 -47044.29373835 Br 2.87833888 3.28371557 0.17579706 -29408.44961640 -244963.22433438 -222797.20114307 I 4.60433421 4.46849480 -0.22442676 11139.33385085 -345.25914793 -11183.28911406 Cl 4.39087066 2.86784878 1.07162338 2054.88068638 -2523.69322864 -341.02795248 Rb 3.06200107 4.52726067 1.32523561 14533.62243445 244436.62815486 226654.87189354 Cl 0.29177603 -0.14166619 2.74243817 -393.70695164 -794.78484171 -593.97435327 Br 1.36470912 1.58752359 2.78676498 88074.83860244 27322.28140373 -108619.62744952 I 1.42828366 0.12802009 4.38189668 189806.29826564 -201326.47677948 57683.59616018 K 0.19660728 1.26789895 4.24544399 -309852.48073565 179131.20057352 88136.15895697 Cs 2.70776815 -0.02885107 3.03010657 62538.45312106 -15091.10065191 -14209.76168769 Br 4.61657262 1.39918623 3.44632695 14754.15425699 47268.18301620 -13019.68942999 Rb 4.04681038 -0.14481227 4.44151356 -13026.53984220 -37819.40946189 24500.19404246 Na 3.43201757 1.59686222 4.35249641 -329.92188602 62.76981236 255.26078815 I -0.18520356 3.29348094 3.28116528 -26947.32823743 -179163.20700291 -90777.11746621 F 1.16146680 4.43987099 2.69399950 14023.75140218 -2475.42680447 8317.19134323 Na 1.56549689 2.82075378 4.39262004 88.87113594 -0.80086760 61.00227843 Cs -0.04398588 4.53880278 4.39740393 15677.01303278 144366.83353976 130309.02059326 Li 3.22670090 3.41033087 2.84593494 -533.14807698 -430.29153957 70.63943530 Cl 4.50405269 4.45902081 2.68868583 8663.84926866 71.35586925 7633.54350083 Cl 4.41050800 3.23978280 4.46247680 69.98796575 80.79713155 73.37335952 F 2.78765386 4.60733667 4.34810635 -6.91477627 8.99174935 5.18946874