32 Lattice="2.5000009536743164 0.0 0.0 0.0 2.5000009536743164 0.0 0.0 0.0 2.5000009536743164" Properties=species:S:1:pos:R:3:forces:R:3 energy=131.68263724544573 stress="-107.03190220452319 -2.7632073097443977 -2.621393654712105 -2.7632073097443977 -106.78100350739741 2.130216225293893 -2.621393654712105 2.130216225293893 -106.5375843286548" free_energy=131.68263724544573 pbc="F F F" user01 0.00116765 0.01094905 0.01223392 -92.71527713 -58.75091643 -80.74920663 user01 0.64099470 0.61559862 0.00070334 -54.25704988 28.48697351 -171.98020344 user01 0.60376020 0.02319406 0.61716933 45.91076571 -183.03218005 35.82868828 user01 0.01891067 0.64267606 0.64963262 -191.95495569 43.08628437 -50.94341644 user01 1.23580225 0.00258294 0.02281514 53.91970575 -119.47943345 -95.35279189 user01 1.89178356 0.61964169 0.01179608 67.79085603 0.34265059 -114.77511397 user01 1.89746127 0.01293445 0.63553357 71.47147882 -110.33857861 -11.30010685 user01 1.24211770 0.64100691 0.62344658 50.15759297 -55.77923049 32.93070449 user01 0.01674006 1.25571283 0.00859640 -116.54870326 -27.81966999 -112.16432930 user01 0.60749740 1.88535282 0.00899744 35.73781922 121.63693652 -100.17590217 user01 0.64560419 1.24286739 0.60401442 -67.76321018 32.78609121 108.32575608 user01 0.02017462 1.85790458 0.64709114 -149.46868696 123.19166122 -48.11235270 user01 1.22936605 1.25543656 0.02074036 96.92544772 32.11997440 -213.13581353 user01 1.89954573 1.89282655 0.02297573 46.09350672 42.89040733 -56.51524806 user01 1.87330810 1.23293174 0.62047249 133.59129464 51.43847519 -0.89211526 user01 1.26279325 1.87686069 0.63828989 -18.84203177 135.82656697 -25.85414240 user01 0.00586853 0.01894252 1.25086250 -126.19251183 -120.10488691 33.59687229 user01 0.61611800 0.62239792 1.24233934 47.03426937 76.95694809 57.10820115 user01 0.63893179 0.00786465 1.86869092 -23.08365481 -106.58014617 110.42451892 user01 0.02207682 0.64902796 1.89563463 -142.19313420 -61.92966708 86.92069069 user01 1.24044021 0.02365413 1.23955571 34.81361995 -174.77635301 -41.47709502 user01 1.89435504 0.63115867 1.23395967 119.13294569 12.38194371 42.73129013 user01 1.87494675 0.01641114 1.88088452 93.13315148 -97.00279596 52.90776677 user01 1.27260436 0.60349897 1.85373424 -46.18652769 90.85910250 151.82342039 user01 0.01301867 1.28959599 1.28119504 -175.11621283 -110.66601028 -30.51772961 user01 0.61880883 1.85646042 1.23859667 68.21044021 170.02213272 36.38608156 user01 0.61285598 1.23537637 1.89476988 104.25101963 39.01843717 124.44903311 user01 0.01847341 1.88696551 1.89743141 -54.57991960 87.91706139 82.12773654 user01 1.25538321 1.26040817 1.26424672 -43.29944032 -61.13449463 -26.26631315 user01 1.86991294 1.86068622 1.25403417 132.65198773 123.51087241 -9.85423116 user01 1.85539906 1.27103665 1.88115738 108.62618663 -29.82600780 123.37670027 user01 1.22750355 1.89148735 1.86069263 -7.25077212 104.74785155 111.12865091