864 Lattice="50.45338726124722 0.0 0.0 0.0 50.45338726124722 0.0 0.0 0.0 50.45338726124722" Properties=species:S:1:pos:R:3:forces:R:3 energy=-460.62324549427905 stress="-0.3863199071192356 0.08256175069040328 -0.14452386159137687 0.08256175069040328 -0.3806622231390122 -0.0799941039191765 -0.14452386159137687 -0.0799941039191765 -0.4710517498116782" pbc="F F F" Cs 0.07247206 0.03487240 -0.01467151 -0.05721128 -0.05523995 -0.05398585 Cs 4.28531036 4.15169822 0.02917275 0.04046033 0.06637789 -0.11810186 Cs 4.21824056 -0.01815781 4.20358472 0.03546793 -0.11525774 0.06224316 Cs 0.03876758 4.28407970 4.12978134 -0.11542096 0.02615711 0.07042916 Cs 8.45081435 0.07476417 0.07637206 0.02122554 -0.08206696 -0.08176962 Cs 12.74656339 4.21735621 0.01424750 -0.02596398 0.05826339 -0.10857341 Cs 12.71922405 0.04317281 4.15469546 -0.02018926 -0.10474270 0.07765088 Cs 8.39914638 4.18197739 4.26504341 0.04014551 0.08274541 0.06082317 Cs 16.82463932 -0.05514881 0.06203236 0.00555893 -0.07994910 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42.03561746 -0.02080281 -0.09706337 -0.07045557 Cs 37.70027071 46.24253640 41.98320347 0.02082376 0.10719290 -0.04091334 Cs 37.88613664 42.09221834 46.24395335 -0.01666419 -0.07050703 0.10082782 Cs 33.67196580 46.18095160 46.20152716 -0.01101817 0.07314927 0.09148540 Cs 42.02797155 42.08150132 42.09418188 -0.06571381 -0.08204610 -0.07582753 Cs 46.32505242 46.20053895 42.00206287 0.08743432 0.08942029 -0.02138752 Cs 46.32332562 41.96419178 46.21425341 0.07826621 -0.03092328 0.08772780 Cs 42.10723423 46.26755734 46.27602033 -0.03668579 0.08473272 0.07384781