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=139.6277448691476 stress="-0.0018865538847076216 -0.00023665141681388467 0.0008328815295207496 -0.00023665141681388467 -0.0017138287114280032 0.00045116480103161077 0.0008328815295207496 0.00045116480103161077 -0.0015831319647161865" free_energy=139.6277448691476 pbc="F F F" N 21.33031403 20.70342959 20.77511025 -0.43213837 -4.96559245 0.69581957 N 22.49793547 22.78187239 21.16721599 9.97207846 18.43107457 1.24213814 N 22.48453339 21.10170120 22.37793365 11.67605054 -8.78528321 9.75154225 N 20.71904386 22.50082602 22.51188943 -11.80759169 0.39190217 -10.42607075 N 24.14302402 20.74006494 21.40811313 15.61227195 13.57636377 9.49900482 N 25.70947124 22.35512851 21.03554404 8.70262522 0.41664131 -4.17792749 N 25.27399550 21.01745102 22.37241235 2.25758058 -12.83194931 -8.48171129 N 23.82230844 22.41049160 22.22286420 -35.26932064 -8.38052897 -10.67323781 N 20.93858073 23.75205420 21.12499906 -19.76687859 -8.28981678 -1.46345984 N 22.55988540 24.90466063 21.16431082 23.74815154 -5.53831815 -7.26627634 N 22.31425730 23.98844065 22.53277713 6.05462582 27.79218747 -10.75362894 N 20.89971974 25.09122022 22.31639105 2.56443398 -9.76601328 -6.18371041 N 23.78219307 24.21813893 21.02951408 -14.23951483 11.76756421 -4.85450373 N 25.54248332 25.54101852 21.09412928 8.06505331 2.52131548 -5.72690523 N 25.43300593 23.72002482 22.22665117 11.40177984 -13.32972484 -11.41456609 N 23.91661558 25.46512192 22.72586561 -13.00794663 18.01824822 11.85524878 N 21.29391194 20.72614529 24.02103145 6.28501252 -7.52458597 6.33584485 N 22.27761356 22.68220204 23.89362841 -20.37458246 22.65419362 -13.25806355 N 22.73573857 21.02724172 25.27538150 2.21306848 -8.40080448 -8.39240141 N 20.70296332 22.34887301 25.72083292 -11.27147895 3.31197414 3.65333040 N 23.78984966 20.98735431 23.92299150 -6.81729183 -19.52613452 10.76206492 N 25.70293039 22.68107110 23.82825321 7.17260048 2.94473351 -8.15935631 N 25.62145332 20.95682448 25.76120756 3.52867831 -3.71320327 3.20743922 N 23.98858164 22.99349649 25.48633291 -2.51616698 4.14202552 2.32259481 N 21.04396501 24.07236142 24.20379337 6.67118614 -15.61650937 43.65600333 N 22.73854596 25.26922180 23.78229695 21.85811222 -8.92109338 -16.86437946 N 22.33665384 24.18745344 25.44549993 0.63024502 11.66544362 -8.58224392 N 20.87970777 25.76277804 25.19314225 -10.24539900 1.52441658 -2.95535474 N 23.79589248 23.73125112 23.71824351 -10.63241761 -11.84054326 23.47815394 N 25.63616082 25.26429260 23.85019747 3.67661256 5.86486189 1.66263559 N 25.52703460 24.29977655 25.44716472 0.97480223 3.45767888 2.06977757 N 24.00793146 25.45764410 25.69989723 3.31575836 -1.05052371 9.44219912