32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=484.5840223134682 stress="-13087.19267058422 -51.15114847908467 820.732179168127 -51.15114847908467 -11809.863225010446 260.16563502330973 820.732179168127 260.16563502330973 -12846.010775057275" pbc="F F F" Cd 0.00041025 0.25551247 -0.14555376 -205.17593917 -281.03087976 -256.76344802 Ca 1.49188881 1.56482696 -0.15379940 158.12723347 -156.16356570 -764.67544476 Ca 1.47410121 -0.29424575 1.46963223 102.15893477 -577.74334932 -411.52632219 Ca 0.15586213 1.40395547 1.28524113 -830.71269956 -228.51822363 29.17447861 Cd 2.73049600 0.12036030 -0.04368752 246.83634327 -175.80371744 -153.17255885 Ca 4.74843919 1.64432661 -0.23976508 250.03029459 -100.21251459 -216.17539922 Cd 4.74849743 0.25911890 1.53701201 131.22635120 -175.63927849 2.97521830 Ca 3.19877714 1.60881314 1.63250256 -204.79147035 -239.70101500 -168.21582839 Cd 0.10031152 2.92336678 -0.14568130 -306.66312642 121.03452220 -220.35938988 Ca 1.28011711 4.63572127 0.05791531 -128.27907915 680.37400130 -425.92013166 Ca 1.23387496 3.13239058 1.59842172 420.52505684 94.42330113 -12.45787589 Cd 0.00693356 4.66501753 1.72580078 -507.13826606 285.59165878 -137.98275837 Ca 2.92866320 3.18883157 -0.00044125 354.07506111 267.84556809 -462.12407154 Cd 4.54313966 4.44832183 0.25980354 140.22499477 197.05018255 -118.42494141 Cd 4.46667242 3.27143892 1.40295338 188.13977685 -212.13967447 -189.54813324 Cd 3.10338854 4.74759167 1.85423265 -102.23209498 301.86212178 -277.31360288 Ca -0.07481803 -0.25336477 2.98702489 -487.32237620 -191.65837614 285.41690986 Cd 1.44857885 1.68843096 3.03871990 172.09851129 -186.76240543 61.08871937 Ca 1.79169807 -0.03136998 4.44630638 -245.26400819 -111.02783272 561.52046645 Cd 0.03851086 1.64982991 4.24795387 -35.22086356 -184.94847417 358.73015949 Ca 2.82929456 -0.21252151 3.02414421 411.80358435 -412.26608722 -32.54326524 Cd 4.37993804 1.78095696 2.82464588 418.79638559 -81.03029363 184.28511741 Cd 4.51827032 -0.03204381 4.11871343 220.54807135 -80.53195356 93.74116922 Cd 3.28460712 1.25346517 4.26772449 58.13804855 246.33572376 197.36864400 Ca -0.22284313 2.74014891 2.93198894 -971.14705226 100.18262885 393.62441747 Ca 1.32743118 4.29546282 2.70940621 145.25352796 722.31439348 160.61013226 Cd 1.83350184 3.00870571 4.33885520 -246.06887640 -139.79956541 346.18560722 Ca 0.03926819 4.58273720 4.59566688 -152.44979263 125.37338484 296.71560697 Ca 3.12528982 3.30525714 3.17828948 102.88439800 -343.64509230 107.30953750 Ca 4.71182891 4.29301824 2.73241985 695.83190083 471.48875881 267.02982276 Cd 4.57255377 2.84307405 4.51258782 178.45936339 -29.44141836 199.57849564 Cd 3.05235119 4.30454100 4.62365747 27.30780677 294.18747175 301.84866901