32 Lattice="53.89706802368164 0.0 0.0 0.0 53.89706802368164 0.0 0.0 0.0 53.89706802368164" Properties=species:S:1:pos:R:3:forces:R:3 energy=-74.66631753689626 stress="0.00036563743998182786 1.4433626084580309e-05 1.9460995630888284e-05 1.4433626084580309e-05 0.0003665981720383543 2.220133871632243e-05 1.9460995630888284e-05 2.220133871632243e-05 0.0004076552699991366" free_energy=-74.66631753689626 pbc="F F F" B 26.82803826 27.04116301 27.04057497 2.90539755 3.17583181 3.57235157 B 29.07617387 28.71629139 26.81381332 -0.37447195 -1.61931946 2.44877881 B 28.69700926 26.81111548 28.99044110 -1.68025660 2.51962017 -0.76635213 B 26.76364052 28.88908667 28.73038306 2.30532821 -1.62774937 -2.17139289 B 30.71731076 26.91432418 27.11736227 -0.31148342 3.80680960 1.57583800 B 32.77742095 28.63064549 26.83645244 -2.19175361 -1.68506701 2.06023472 B 32.54657503 27.13417638 29.02829910 -0.81722310 1.02998252 -1.45063527 B 30.95134800 29.03661197 28.99580437 -0.71611306 -2.47220564 -1.12003068 B 27.17319572 30.71462361 26.82688800 1.68946049 -0.09304169 3.56592193 B 29.04839880 32.71661262 27.07603594 -2.34897064 0.23272648 1.21829786 B 28.90549860 30.76311341 28.77532591 -5.27899796 -1.70029451 -0.43940110 B 26.91344515 32.63010055 28.68210932 1.97911879 -2.70924600 -0.89084246 B 30.95814641 30.86898343 27.19137460 1.32583420 -1.68383338 -2.02921031 B 32.81868120 32.75033305 27.07273976 -0.25237491 -0.62268342 0.73942104 B 32.54064675 30.88673537 28.64146024 2.81349103 0.80398113 -0.01065834 B 30.63664146 32.57453319 28.63626322 -1.01762784 3.87594874 -0.43056345 B 26.82518989 26.92826352 30.85107397 3.33385049 2.70930403 1.21100260 B 29.07026487 28.68881978 30.60451125 -0.41641138 -0.93209979 0.02492430 B 28.74115280 26.81637318 32.57045435 -1.05615854 3.45683301 -1.64926168 B 26.88175397 28.66006719 32.79883576 2.99539321 -1.95827217 -2.80700409 B 30.92590916 26.89337839 30.90776558 0.15313335 0.56954265 2.33603124 B 32.93970878 28.64503357 30.61919737 0.27467255 -1.58816312 2.59691498 B 32.87626751 27.11760670 32.79274763 -2.76015748 2.48894991 -3.74209717 B 30.51267510 28.83017475 32.90734063 -1.09575304 -0.87891846 -2.59026504 B 27.14163022 30.94991065 30.64985373 1.00798497 1.12411637 -0.61671925 B 29.05025641 32.66059799 30.90658013 0.13938716 -0.05747068 0.04938847 B 28.74056250 30.82268987 32.77496987 -1.03942173 -1.18452239 -0.04899571 B 27.05989117 32.57907772 32.76678538 1.72518827 -2.01427057 -1.51463539 B 30.83876186 30.84393708 30.72800016 1.44096230 -1.08590970 2.05878065 B 32.83706666 32.64388682 30.62933600 -0.96034140 -2.42843261 -0.01788037 B 32.55546159 30.89034022 32.52934996 -1.56313177 0.64232091 -1.74475368 B 30.82835498 32.50779183 32.54784126 -0.20855416 -0.09446732 0.58281287