64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=4511.277148539506 stress="-0.01814550245110038 1.9284314941833423e-05 -0.0031152382620740983 1.9284314941833423e-05 -0.020014744516333578 -0.003725049188401882 -0.0031152382620740983 -0.003725049188401882 -0.02044958594984983" free_energy=4511.277148539506 pbc="F F F" Rb 34.99806101 34.99156774 35.10981066 -22.83834742 -23.64677991 -41.28064816 Rb 35.77470358 36.24206281 37.02378695 -34.84089189 18.89728802 -6.78876545 Rb 37.89877224 37.74720478 34.80709136 -205.29275046 -165.88455631 -306.51789157 Rb 38.57374836 38.26849543 35.89597411 60.33610884 46.51373383 255.40682607 Rb 37.40054456 34.88808749 37.00513473 49.06973867 -73.72930776 -17.79413968 Rb 39.07820044 36.04309148 38.72303945 -321.96015177 185.03130399 -221.60865262 Rb 34.79145306 38.10721498 37.85539435 -94.61171200 0.85081270 -24.83143112 Rb 36.36337869 39.27784051 38.84915354 119.75057492 -107.68707575 -104.02641022 Rb 40.35421438 35.39180164 35.33659231 -77.65856238 -89.55633649 -133.63906071 Rb 41.25369374 36.24495996 36.69795806 -13.94331322 81.73429098 -30.78464940 Rb 42.55763161 37.57349952 35.16651768 -48.31932175 -58.89013031 -197.71059699 Rb 43.28818524 38.33322660 36.46889518 120.89590952 77.52985650 117.89798983 Rb 42.29872876 35.19893819 37.35911512 103.39930341 -202.59212927 56.37967888 Rb 43.85084890 36.04894871 38.42160849 90.50017286 16.86643394 46.85402734 Rb 39.99127592 37.52729309 37.36426098 -123.76597302 -164.86207643 -210.06704040 Rb 40.39650399 38.43444331 38.26839671 121.98455121 265.33996194 263.85458852 Rb 35.00751767 39.29545902 34.84888924 -14.90656396 -5.91474979 -14.44146238 Rb 35.91246132 41.73102943 36.46803952 68.56003199 -125.02633271 -146.85751129 Rb 36.98835874 41.92218164 34.55455682 31.75311274 11.06117185 -66.59368626 Rb 39.14446996 44.12779714 36.21600528 -54.68496949 106.91660387 -66.62413999 Rb 38.08179551 39.60325880 37.73699379 26.89681505 11.73523555 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40.71401365 108.36274827 87.46888588 33.97106997 Rb 42.76895558 40.30078761 42.37814855 -74.71960217 -29.95298408 -19.91318648 Rb 43.76365900 41.57300871 43.32337879 79.03035513 89.47800021 79.24606694 Rb 39.04721928 42.20015761 42.81534330 71.67053170 100.42985746 -96.96837392 Rb 41.18148131 43.70490771 43.99894162 12.77423570 17.71330366 13.08453313