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=59068.59233846901 stress="-2.549908123599385 0.4157291853474724 0.2804536347440779 0.4157291853474724 -3.5914698029369063 -0.1783885916379302 0.2804536347440779 -0.1783885916379302 -3.544343627819291" free_energy=59068.59233846901 pbc="F F F" Yb 21.27548896 21.16922974 21.23192326 14662.90139999 -73689.64026813 -72980.24360888 Yb 22.26438272 22.68809026 21.23102303 10744.03985886 7700.42341188 -8344.03316515 Yb 22.73699544 21.10638016 22.58569040 -8825.17076102 -5083.56650086 -7394.01014938 Yb 21.01326455 22.15282907 22.25090427 -28332.82811275 66324.54829201 78141.42962101 Yb 24.08139727 21.24280546 21.29092359 -8883.80741258 284.24650392 -11826.79075918 Yb 25.32379622 22.67999074 21.00688238 4193.89214222 -1842.38329905 -487.86848398 Yb 25.30368462 20.92986416 22.39839863 10471.35206376 -3106.98458063 8923.94640213 Yb 23.78668568 22.56492423 22.83535735 17170.15553052 -8691.01366243 -2009.13674063 Yb 21.00779022 24.53014600 21.05027026 -2155.32893835 -1345.69842616 -1751.33775144 Yb 22.76387261 25.30657051 21.29571193 -486.98666545 2379.89677443 -1605.42600893 Yb 22.71896857 23.79228871 22.92317283 -12032.26854805 17880.98280358 -9913.18879191 Yb 21.01552546 25.49115940 22.77927462 -3798.33045902 2666.19815725 -3343.86956886 Yb 24.23239813 24.13926855 20.82825652 -3316.12768917 608.81329317 -1952.52250482 Yb 25.70633607 25.25594260 21.24535132 1438.43939325 24853.41949618 -28067.22545692 Yb 25.73943524 24.27781607 22.45642920 1430.61482608 -23346.29199801 28430.36935790 Yb 23.59322703 25.34585489 23.03927005 8616.63269188 14430.26486791 -16917.20853621 Yb 21.39178777 20.93783933 24.06029304 -3400.53493605 -6608.61381032 -5223.09020899 Yb 22.18972732 22.66364924 24.04866404 963.05418212 -8525.58437688 7259.81618450 Yb 22.63084253 21.12099557 25.44818822 2795.38848788 -2261.10925667 6525.89028355 Yb 21.05412061 22.09121838 25.40425566 -6548.63033847 4160.33868248 6725.31550952 Yb 23.72211241 21.04859409 23.97475039 8917.74096179 -3403.60156304 7306.36711586 Yb 25.79202594 22.32075522 24.28258269 2813.77017104 4208.47373196 -7561.49872388 Yb 25.58618772 20.94497754 25.32301979 -784.52233088 -7122.96720676 5434.71627876 Yb 24.05104200 22.78463416 25.24878610 -9799.54779646 -10512.70538360 2831.00670609 Yb 20.94029451 23.97142450 24.01843875 -6286.97788753 360.58091360 582.63337655 Yb 22.26383503 25.35584424 24.08225446 -1874.54134346 3351.15392290 5562.36958958 Yb 22.33845869 24.19577786 25.78997841 15014.97452227 -17302.52257948 4878.47860253 Yb 21.27628672 25.38547590 25.54385757 -19170.07895185 17649.97922312 2987.35414064 Yb 24.05727065 24.30462392 24.26017118 -1998.53686244 -12492.67537777 3402.07254008 Yb 25.31681669 25.54723434 24.04658036 9276.49205409 4963.94637925 -4120.42733793 Yb 25.41032333 23.79228508 25.37381109 12548.84843646 7953.48316843 5891.18006554 Yb 24.15022044 25.67370525 25.40086362 -3364.07768870 5558.60866773 8614.93202286