32 Lattice="4.28195619464641 0.0 0.0 0.0 4.28195619464641 0.0 0.0 0.0 4.28195619464641" Properties=species:S:1:pos:R:3:forces:R:3 energy=1784.8833192873747 stress="-92.15120955797728 -1.9374919852617694 1.5446524588708381 -1.9374919852617694 -92.22775385785418 1.1062369551759488 1.5446524588708381 1.1062369551759488 -92.56399045687468" free_energy=1784.8833192873747 pbc="F F F" Ne 0.00745338 0.01357886 0.04056717 -274.24285427 -263.55273152 -211.51533546 Ne 1.01730440 1.05118017 0.01650876 123.08783626 70.93941766 -468.53905588 Ne 1.10447663 0.01183209 1.02770248 -128.11971635 -438.96779991 111.77981933 Ne 0.00372958 1.10189981 1.05610920 -444.55391594 -69.04544356 100.19618796 Ne 2.17767029 0.03359146 0.01194600 -92.73104914 -344.68166128 -340.29092366 Ne 3.19437039 1.03657806 0.01981331 340.86738449 146.77582754 -271.16991340 Ne 3.19245048 0.03427553 1.09217993 328.22040638 -366.46027012 -14.55486091 Ne 2.10072571 1.05735071 1.08875010 141.33320311 128.21408453 -67.02569316 Ne 0.00790384 2.16555468 0.01854138 -294.07986725 -34.89471905 -354.45726222 Ne 1.05007613 3.23890831 0.00532543 94.07105173 238.04677444 -292.65424314 Ne 1.06934666 2.12512689 1.06122394 -31.00582271 143.50862976 1.16019554 Ne 0.01474923 3.20426284 1.03456201 -310.86929431 284.27041960 127.06918117 Ne 2.10567119 2.09403870 0.03688746 39.05470140 90.92615710 -394.35285724 Ne 3.17849125 3.19788345 0.02744887 142.18886860 228.16844814 -242.38040985 Ne 3.20959512 2.18077338 1.04696960 294.97039088 -100.66376442 83.54341491 Ne 2.09948398 3.25188729 1.10041911 54.81784070 299.82248985 -55.96629728 Ne 0.03517122 0.00045719 2.16476681 -304.46615007 -282.23484629 -162.00231057 Ne 1.03858065 1.10961125 2.11341876 89.50302483 -181.70692936 91.82395219 Ne 1.04066257 0.00318671 3.19941137 175.14000663 -280.28518466 290.13498218 Ne 0.02932746 1.04063988 3.20753379 -340.61379931 81.29966943 319.21125392 Ne 2.11746663 0.03495347 2.10120796 22.00075997 -368.40185371 229.18897962 Ne 3.24047613 1.07160440 2.10744115 281.10521946 41.11181281 73.09208106 Ne 3.23721723 0.00129487 3.23935828 95.41215766 -112.29610917 104.00289961 Ne 2.12687681 1.10996076 3.22724660 80.98995917 -189.47054421 264.60212601 Ne 0.03535235 2.13198713 2.17321092 -434.16689530 108.04296217 -17.44557137 Ne 1.04797155 3.22740640 2.13373210 28.95436239 300.42653147 69.01271483 Ne 1.09641098 2.10497689 3.24062117 -82.34374283 185.26931236 334.93998231 Ne 0.00592120 3.25279821 3.20155028 -149.92149025 134.08030047 178.74424494 Ne 2.10907587 2.12947221 2.11492280 93.62834385 66.33461816 71.66879956 Ne 3.18604431 3.18656472 2.17602252 285.63988830 276.00406909 -72.29444114 Ne 3.22399233 2.10476370 3.18505409 248.08242988 23.31311787 271.20629652 Ne 2.16640820 3.23541921 3.22633150 -71.95323794 186.10721483 243.27206362