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=4648.203170002664 stress="-0.09641581294899443 0.0014768709792922301 0.0002410526447852887 0.0014768709792922301 -0.09658544422754833 0.0017224636312801575 0.0002410526447852887 0.0017224636312801575 -0.09878963299024532" free_energy=4648.203170002664 pbc="F F F" Rb 20.96567351 21.09811494 20.87645034 -127.14258078 -93.91334922 -98.67892527 Rb 22.88576014 22.23622317 20.94747064 -84.38291935 122.32296897 -284.81821902 Rb 22.58322477 21.21814757 22.33674631 -105.99760589 -314.67162951 55.19349472 Rb 21.09891886 22.63081798 22.58862205 -214.14495517 -35.25874028 -47.94873337 Rb 23.97083742 20.89013648 20.77665572 108.25412021 -217.94580379 -172.66815614 Rb 25.73222247 22.66516616 21.09074991 167.59629221 -43.13313430 -168.30297778 Rb 25.65184102 20.88866340 22.30602228 173.15685906 -154.99670912 -51.81114458 Rb 24.01937637 22.48052389 22.58924611 120.19869679 -81.02754137 -136.22926640 Rb 21.22394592 23.88431432 20.92420140 -111.33192933 17.10328813 -166.40928216 Rb 22.64992182 25.72969803 21.03968825 -8.10643705 158.00695308 -163.24889403 Rb 22.55644429 24.23504412 22.75228033 -286.36227687 -59.96287116 -159.74108955 Rb 20.72694551 25.78433163 22.13575038 -145.98019051 96.18139710 -3.40854042 Rb 24.03093840 23.99996674 21.28737279 -94.04723765 -41.25511952 -317.57948838 Rb 25.34013982 25.22655653 21.27525869 174.61103071 312.53664957 -288.49206730 Rb 25.47414171 24.25097654 22.45609608 330.39370696 -73.65631619 164.58776624 Rb 23.86631561 25.21760569 22.82858432 94.08017666 348.58337435 -48.78153711 Rb 20.82964024 20.99966229 24.29740139 -203.37174442 -154.93741659 -73.94088707 Rb 22.79004027 22.38497445 23.90063274 -226.59754271 -145.11653719 35.42534743 Rb 22.27324282 21.06444632 25.30758850 53.92736195 -192.32436456 205.40996840 Rb 20.77579688 22.74909591 25.53519644 -141.43799649 -58.65136639 249.97021207 Rb 24.35306931 20.82885096 23.80600166 -14.13553228 -272.26263533 44.22803052 Rb 25.54670512 22.61317672 23.80696545 283.42280465 5.59283918 75.77895683 Rb 25.50127298 21.03715739 25.49969826 118.77254811 -88.98398158 137.24929663 Rb 23.88854360 22.46802959 25.26614954 166.33500406 -100.23985045 297.74707664 Rb 20.75901721 23.73539311 24.20020259 -175.50742666 160.30490180 -63.94082576 Rb 22.34966728 25.60470978 23.76898726 -139.68347365 279.68208703 167.69006174 Rb 22.73034010 23.71709627 25.68333836 -84.83823748 145.90338837 249.67711793 Rb 21.01888536 25.74473802 25.73393203 -48.31186662 64.18514809 67.70234033 Rb 23.70739627 23.73044501 23.84951801 155.43914092 140.12473771 191.24902241 Rb 25.22645286 25.71901898 24.05695922 231.36591315 197.52210063 -60.44929468 Rb 25.60565368 24.26723240 25.62123991 172.22295779 -75.72144121 134.41478950 Rb 24.29720586 25.58885849 25.43317071 -138.39666033 156.00897376 230.12584765