16 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=94.82577764534689 stress="-0.002843203781975796 -5.589363670029098e-05 -9.42413018252671e-05 -5.589363670029098e-05 -0.002489713472151128 -0.00028702998057663964 -9.42413018252671e-05 -0.00028702998057663964 -0.0025874524358129327" free_energy=94.82577764534689 pbc="F F F" Ca 20.85540510 21.11115480 21.11044915 -8.06375006 -6.17238261 -6.87834328 Ca 22.70960170 22.16342156 22.31401058 -5.43550025 4.14409091 -0.99046522 Ca 23.78829595 20.83509776 21.14041416 6.29157050 -12.97917726 -13.16429399 Ca 25.27812781 22.58208812 22.32834452 16.32815040 -0.79335948 -3.55975413 Ca 20.87679405 23.89640262 21.20259391 -11.21497878 1.31118425 -7.48032225 Ca 22.56504129 25.20865944 22.14397069 -9.40373809 21.37922718 4.13088640 Ca 23.78802619 24.21728512 21.18584377 11.64733436 -2.03951495 -20.15218216 Ca 25.68362810 25.69581920 22.64685009 6.26516440 5.66404705 -2.03928988 Ca 21.26959405 21.17626233 23.85402479 -10.86784037 -8.77731998 6.12834758 Ca 22.70996341 22.49207130 25.65300231 -3.29230444 -3.33988930 13.89637619 Ca 24.03848316 20.95774659 23.91852158 2.96695848 -15.60598207 3.95299713 Ca 25.45789336 22.22952502 25.27041603 10.70182547 -0.51206268 8.13040460 Ca 21.19178619 24.02036218 24.10809008 -13.77101519 2.48147177 2.44314209 Ca 22.61455359 25.53253581 25.64904689 -3.93828410 8.59476631 7.50409358 Ca 23.78091226 24.02595688 23.96603997 4.60275820 2.34678481 2.01594488 Ca 25.30598025 25.32157598 25.51361598 7.18364948 4.29811607 6.06245846