32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5642.542885271045 stress="-0.10994308956358773 0.0007456553371563621 0.0017561983370244928 0.0007456553371563621 -0.10770348945650313 -0.0002156171497527755 0.0017561983370244928 -0.0002156171497527755 -0.10753929238227121" free_energy=5642.542885271045 pbc="F F F" I 20.96864501 21.26147517 21.00736779 -214.86030121 -124.72525167 -144.44963965 I 22.54671549 22.23594820 21.17858111 -10.88639639 65.35520467 -274.88780958 I 22.58352372 20.84376228 22.26820562 -145.57478283 -283.60263169 92.77890405 I 20.95203735 22.76111147 22.72232616 -254.43115006 -188.32861133 -59.93299785 I 23.97927008 20.72147108 21.19736496 140.31823014 -218.92569219 -240.36382813 I 25.32128623 22.86618499 20.99965461 201.98744956 -52.80878193 -165.24367581 I 25.77820060 20.78858747 22.67621204 179.58370244 -156.24635685 -33.37165590 I 24.13215382 22.21035018 22.51970436 73.49569777 60.05798853 -12.78527769 I 20.87689326 24.24596227 21.27680686 -295.56035434 -44.97107791 -351.16934066 I 22.59967038 25.49640474 21.06224969 -44.72378282 267.15512568 -270.78121911 I 22.34915582 23.98058377 22.24979800 140.00203719 -90.21908495 3.43564830 I 21.13236414 25.23944939 22.51619234 -266.87326958 347.87995339 95.26657213 I 23.80772007 24.03790681 20.73395044 35.29808780 -21.88712319 -246.34302848 I 25.21647147 25.57493195 21.13169046 157.35915251 149.55544680 -132.61635857 I 25.73295849 24.23623397 22.79740101 209.39388502 15.36653030 -93.86691969 I 23.78561866 25.57730756 22.58177926 181.71128351 209.83339427 -51.28583607 I 20.80522007 20.78391760 24.11905965 -143.91962502 -150.53185938 -22.07434341 I 22.51400128 22.67230680 24.12659488 -103.69123468 -152.69695594 -55.95236913 I 22.44700681 20.74650446 25.63311255 -14.29737019 -166.81965331 170.09567950 I 21.00743936 22.44398736 25.57094765 -177.28860299 -25.98629647 212.20420710 I 23.75431099 20.88529253 23.97076775 42.51395517 -247.36929252 61.51454831 I 25.65075815 22.49667648 23.96545771 243.92002362 -46.74731429 37.69721958 I 25.34107598 21.10260142 25.68947213 116.92300517 -123.83285452 132.50805812 I 23.85847550 22.63185401 25.47839446 73.17626819 -178.27215893 331.59141824 I 20.83058461 23.86537308 24.02278034 -262.58563979 104.76521035 137.76262905 I 22.68407183 25.56109240 23.70032005 -125.63566195 249.54777585 192.19422536 I 22.66886747 24.04810421 25.45353077 -151.68573812 169.76413559 327.20354177 I 20.84466640 25.46448728 25.61524669 -87.27342869 110.36501009 98.27247607 I 23.86267039 23.78303776 24.22725014 99.41319769 86.19109998 -174.54601400 I 25.46525369 25.24236599 24.39286229 318.85291097 221.38296912 -135.27624411 I 25.26566576 24.13359613 25.57146234 226.91783589 -105.77343271 335.65343564 I 24.32285574 25.73939028 25.30557629 -141.57938399 322.52458516 236.76799462