32 Lattice="102.37757682800293 0.0 0.0 0.0 102.37757682800293 0.0 0.0 0.0 102.37757682800293" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.804906606340145 stress="-1.7085791952103536e-05 1.456667896756097e-07 -4.9681986554054346e-08 1.456667896756097e-07 -1.6839726504137366e-05 -1.3113405909087143e-07 -4.9681986554054346e-08 -1.3113405909087143e-07 -1.7347044231946073e-05" free_energy=-2.804906606340145 pbc="F F F" Rb 51.06829266 51.28141741 51.28082937 -0.13346529 -0.14351020 -0.15618435 Rb 55.04787502 54.68799253 51.05406772 -0.01731262 0.10993299 -0.24262683 Rb 54.66871040 51.05136988 54.98380004 0.05260081 -0.24620468 0.03196537 Rb 51.00389493 54.86078782 54.70208421 -0.25699477 0.03943429 0.05154930 Rb 58.16821460 51.15457858 51.35761667 0.05152095 -0.25713953 -0.19213419 Rb 62.21201558 54.60234664 51.07670684 0.18426821 0.04270071 -0.21552128 Rb 61.98116966 51.37443078 55.00000025 0.26210763 -0.30582879 -0.10544145 Rb 58.65449589 54.97810841 54.88903505 -0.17227131 -0.00627117 0.02421940 Rb 51.41345012 58.64835775 51.06714240 -0.23103471 -0.10729829 -0.28313217 Rb 54.81643091 62.15120725 51.31629034 0.09533038 0.26532305 -0.23599599 Rb 54.62868701 58.46626130 54.77723176 0.14130214 -0.11897276 0.04557216 Rb 51.15369955 62.06469519 54.65381047 -0.24336759 0.28268173 0.08139700 Rb 58.66129429 58.65060179 51.43162901 -0.10087621 -0.10211740 -0.38713976 Rb 62.25327583 62.18492768 51.31299416 0.16786585 0.16967224 -0.16614563 Rb 61.97524138 58.58988326 54.81683042 0.43376543 -0.11763946 0.02678678 Rb 58.58874623 62.00912782 54.85647709 -0.11212449 0.40526989 0.03557589 Rb 51.06544429 51.16851793 58.55422186 -0.25463206 -0.20264723 -0.05940208 Rb 54.79300913 54.66052092 58.49690104 0.07582167 0.12844748 -0.05471827 Rb 54.71285394 51.05662758 62.00504898 0.07810427 -0.24915842 0.20900351 Rb 51.12200837 54.63176833 62.23343039 -0.19541148 0.11123028 0.18755212 Rb 58.72830549 51.13363279 58.42167156 -0.12590704 -0.27043556 0.05527626 Rb 62.37430341 54.61673471 58.32234525 0.27634208 0.16653560 0.08870059 Rb 62.31086214 51.35786110 62.22734226 0.11005657 -0.10898284 0.14922664 Rb 58.23210239 54.80187590 62.34193526 0.01412397 0.06203863 0.20930823 Rb 51.38188463 58.65305853 58.23747378 -0.31268520 -0.09970378 0.06942518 Rb 55.07058701 62.09519262 58.60972802 -0.02419331 0.34038399 -0.12543102 Rb 54.66363420 58.73712412 62.20956450 0.05418155 -0.21492070 0.25656049 Rb 51.30014557 62.01367235 62.21643475 -0.20891245 0.18464226 0.12718840 Rb 58.54190975 58.54708496 58.21986168 -0.10473127 -0.15921379 0.10923387 Rb 62.27166129 62.07848145 58.38408027 0.21934636 0.25668778 0.02526580 Rb 61.99005622 58.59348811 61.96394459 0.21095364 -0.09700524 0.20774335 Rb 58.29760005 61.94238646 62.22957790 0.06622830 0.24206890 0.23232268