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=460882.64786602196 stress="-26.197073158086322 4.583672065411493 -8.110030806663367 4.583672065411493 -22.093204219227292 -1.8127373713936517 -8.110030806663367 -1.8127373713936517 -27.093292829465803" free_energy=460882.64786602196 pbc="F F F" Ho 21.10807790 20.98679454 21.27924974 -214953.79516687 -109084.06470189 -224345.17006547 Ho 22.56760970 22.79838896 20.95056986 -41983.80956748 -50028.76872585 -110417.78317825 Ho 22.14275139 21.44811687 22.31761801 460134.53166792 -246635.64722801 189471.49615435 Ho 21.10572598 22.52583224 22.44946750 -329551.99127912 261182.84634233 35173.02128861 Ho 23.96529566 20.83627448 20.81238782 -10939.97310882 -29777.53283499 -19581.68272583 Ho 25.40615892 22.10893949 20.83219573 17709.22081689 16622.05595247 -14450.16703467 Ho 25.36767533 20.98242675 22.45228020 7363.62940855 -26175.09338657 -2726.43862178 Ho 23.71969262 22.19627708 22.07812031 82937.65904882 9120.12956102 57533.99081150 Ho 21.27594136 24.09972485 21.17093911 -501508.09951131 -10431.13871231 -645084.25724024 Ho 22.39864407 25.50353935 21.29508999 115872.71405674 78651.78002280 -90395.23459692 Ho 22.20715397 23.92341805 22.25809677 515300.59712516 -95070.75108326 589082.05898179 Ho 21.12283762 25.26870950 22.31488300 -153892.36916450 133775.80346411 167607.35828117 Ho 23.79440999 24.06393323 21.23782499 48280.50818153 26522.42188569 -13515.38106638 Ho 25.31109876 25.46504258 20.94886169 5250.65448426 4315.09160990 -2412.98544554 Ho 25.36885946 23.54044411 22.61712201 11422.45744291 98194.57565075 -120504.65953238 Ho 23.97542071 25.40521928 22.82459233 -32305.00752953 8092.32849453 -30276.56135578 Ho 21.09265556 21.28424755 24.34236877 -8143.24287328 -124481.05673894 -172209.89524122 Ho 22.61285330 22.63151150 24.12862924 7829.41950712 1182.34430118 1036.89531631 Ho 22.17871565 20.95542955 25.75208531 39441.11994654 -26769.42862326 33511.81805896 Ho 20.91854360 22.31032495 25.55269612 -40858.45656213 142008.35608293 147116.35646240 Ho 23.90339511 21.15788643 24.08388799 -1583.97473447 -16358.68509439 520.78192017 Ho 25.50327060 22.36243104 23.73966823 28734.50650867 -93829.57977396 108143.35978438 Ho 25.25057828 21.12828652 25.72086388 4800.71071132 -4173.89619698 4955.17445674 Ho 24.21162602 23.00531457 25.58006701 -1325.98543400 -99909.55804925 57040.86716873 Ho 21.08520754 23.76391118 23.81112083 -31128.43901510 17511.71459263 32526.07967944 Ho 22.31081044 25.25945934 24.21215540 425.19286236 33565.61917904 -41960.96713766 Ho 22.94204148 24.21384945 25.51636833 -38980.60756195 2512.10296103 39554.20587642 Ho 21.18946517 25.47585603 25.72776621 -14807.17460242 4587.32371378 16795.56202575 Ho 24.35317199 23.91775073 24.09711806 -28703.99956073 24188.61219953 -40102.90249459 Ho 25.32913583 25.61489259 23.96630678 51121.75632192 19535.49760791 11775.02024335 Ho 25.51124083 24.20486951 25.55088991 58964.78493471 27652.35831978 20657.54263791 Ho 24.17275421 25.68935310 25.50054427 -4922.53735372 23504.23920826 15482.49658872