32 Lattice="12.031774164709297 0.0 0.0 0.0 12.031774164709297 0.0 0.0 0.0 12.031774164709297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-24.68314755819704 stress="-0.0006290811235751037 0.000109415769885019 -0.00014894013891021194 0.000109415769885019 -0.000551832822229338 5.972168326645411e-05 -0.00014894013891021194 5.972168326645411e-05 -0.0006210388353006574" free_energy=-24.68314755819704 pbc="F F F" Ca 0.05530516 0.04862535 0.05045156 -0.08755936 -0.07565865 -0.07402476 Ca 2.98394022 2.95570781 0.03682100 0.20681841 0.19625131 -0.10349681 Ca 2.97911795 0.00351798 2.97805357 0.19984536 -0.06501940 0.20960639 Ca 0.00224122 2.97561256 3.00989325 -0.08345631 0.17307190 0.15632592 Ca 6.04363629 0.00002188 0.05315059 -0.14172437 -0.06229469 -0.09223829 Ca 9.02376704 2.98425811 0.05428089 0.07193863 0.14383501 -0.10698303 Ca 8.98693411 0.02886952 2.95184307 0.08381748 -0.08618434 0.18516700 Ca 6.04200746 3.05526349 2.97736527 -0.22181817 0.09954153 0.21845980 Ca 0.04496429 5.98304044 0.03500698 -0.04549229 -0.04755536 -0.03655531 Ca 3.06330275 9.04129715 0.02996467 0.05399862 0.03637521 -0.04079067 Ca 3.02789092 5.98072901 3.02190596 0.12129200 -0.10535781 0.12470084 Ca 0.04071713 9.07557365 3.04386521 -0.03931676 0.03784238 0.03945933 Ca 6.04625216 6.06091653 0.05475966 -0.18682228 -0.21071961 -0.16063944 Ca 8.97575676 9.02257580 0.02560371 0.07012701 0.06726088 -0.07308863 Ca 8.98899094 6.06519409 2.96025541 0.14045832 -0.18337457 0.19968633 Ca 6.06800417 8.98252735 2.97636023 -0.20316887 0.13702082 0.20358613 Ca 0.01585206 0.03950714 5.99934941 -0.04857941 -0.07971423 -0.08573138 Ca 2.99847668 3.04858278 6.05707911 0.16447877 0.11460340 -0.20736146 Ca 3.00846488 0.01599862 9.03202054 0.10503599 -0.06355538 0.04678290 Ca 0.01474279 2.96504360 9.01872526 -0.07027910 0.15221170 0.04531721 Ca 6.00954462 0.04532112 6.02538448 -0.14019938 -0.07356263 -0.17412200 Ca 9.00185186 3.02714724 6.00121735 0.07766018 0.16121497 -0.13747434 Ca 9.03480401 0.02817996 8.97540333 0.02864042 -0.02836351 0.02595253 Ca 6.03814266 3.00019638 9.00511032 -0.14011427 0.15373002 0.09008686 Ca 0.00753281 6.06249510 5.95670409 -0.05958593 -0.17457668 -0.06477360 Ca 3.02347914 9.05174432 6.00695598 0.13792513 0.05569174 -0.13866075 Ca 2.98349137 6.03267866 9.07943762 0.12813746 -0.14729907 0.03926824 Ca 0.05150391 9.00261450 8.97652351 -0.04422719 0.04207127 0.03065446 Ca 5.95649395 6.02592455 6.00810951 -0.07513235 -0.15876192 -0.11867298 Ca 9.01999932 9.01082979 5.99400387 0.04120479 0.03203571 -0.06656761 Ca 9.00606014 6.03758024 9.07272166 0.02955018 -0.09772444 0.01009495 Ca 5.98450345 9.01751189 8.99327922 -0.07345270 0.05696445 0.05603216