32 Lattice="4.281955721490704 0.0 0.0 0.0 4.281955721490704 0.0 0.0 0.0 4.281955721490704" Properties=species:S:1:pos:R:3:forces:R:3 energy=1784.8843752612042 stress="-92.15136573274668 -1.9374955196133274 1.544655347376462 -1.9374955196133274 -92.22791025233725 1.1062391104747182 1.544655347376462 1.1062391104747182 -92.56414729409752" free_energy=1784.8843752612042 pbc="F F F" Ne 0.00745338 0.01357886 0.04056718 -274.24327533 -263.55313497 -211.51564909 Ne 1.01730427 1.05118005 0.01650876 123.08804254 70.93954074 -468.53976410 Ne 1.10447652 0.01183209 1.02770236 -128.11992693 -438.96846241 111.78000187 Ne 0.00372958 1.10189969 1.05610908 -444.55458405 -69.04555448 100.19635368 Ne 2.17767006 0.03359146 0.01194601 -92.73120828 -344.68218489 -340.29143361 Ne 3.19437003 1.03657794 0.01981331 340.86790226 146.77607680 -271.17031079 Ne 3.19245012 0.03427553 1.09217981 328.22089598 -366.46082568 -14.55488579 Ne 2.10072547 1.05735059 1.08874999 141.33343633 128.21429985 -67.02580678 Ne 0.00790385 2.16555445 0.01854138 -294.08030023 -34.89477935 -354.45779750 Ne 1.05007601 3.23890796 0.00532543 94.07120714 238.04711706 -292.65467603 Ne 1.06934654 2.12512666 1.06122382 -31.00587556 143.50886744 1.16019720 Ne 0.01474923 3.20426249 1.03456189 -310.86975653 284.27084071 127.06939351 Ne 2.10567095 2.09403846 0.03688746 39.05476903 90.92630367 -394.35344289 Ne 3.17849089 3.19788310 0.02744888 142.18906873 228.16879482 -242.38077933 Ne 3.20959477 2.18077315 1.04696948 294.97081172 -100.66393247 83.54355684 Ne 2.09948374 3.25188694 1.10041899 54.81793110 299.82291729 -55.96638808 Ne 0.03517122 0.00045719 2.16476657 -304.46660536 -282.23526200 -162.00257980 Ne 1.03858053 1.10961113 2.11341852 89.50317418 -181.70723309 91.82410376 Ne 1.04066245 0.00318671 3.19941101 175.14030028 -280.28560034 290.13541479 Ne 0.02932746 1.04063976 3.20753344 -340.61431155 81.29980767 319.21172905 Ne 2.11746639 0.03495347 2.10120772 22.00079339 -368.40239913 229.18935782 Ne 3.24047577 1.07160429 2.10744091 281.10561786 41.11188382 73.09220079 Ne 3.23721687 0.00129487 3.23935792 95.41228587 -112.29626313 104.00304108 Ne 2.12687657 1.10996065 3.22724624 80.99009683 -189.47085705 264.60249797 Ne 0.03535236 2.13198689 2.17321069 -434.16754721 108.04314401 -17.44559745 Ne 1.04797143 3.22740605 2.13373187 28.95440747 300.42696064 69.01282533 Ne 1.09641087 2.10497665 3.24062082 -82.34388357 185.26961651 334.94046693 Ne 0.00592120 3.25279786 3.20154993 -149.92170564 134.08048941 178.74450545 Ne 2.10907563 2.12947198 2.11492257 93.62849781 66.33472742 71.66891641 Ne 3.18604395 3.18656436 2.17602228 285.64030842 276.00447206 -72.29456201 Ne 3.22399197 2.10476346 3.18505373 248.08278930 23.31315482 271.20669296 Ne 2.16640797 3.23541885 3.22633115 -71.95335597 186.10747420 243.27241782