16 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=36.04257858035885 stress="-599.322052852529 -288.66724015067734 -70.17285428794166 -288.66724015067734 -677.7728435901527 180.89041484056781 -70.17285428794166 180.89041484056781 -526.8856310092872" pbc="F F F" Ca 0.07327937 0.19989723 0.34697644 -84.14639764 -113.70200640 -69.36595871 Cd 1.16030637 1.65720406 1.26564846 92.38616743 113.75722972 78.91989752 Ca 3.08891732 0.29768454 -0.01726309 -34.79407400 -34.60571525 -34.59829823 Cd 4.36065667 1.46314234 1.20226088 41.33518731 20.77271295 43.54284491 Cd -0.29738657 2.97307132 -0.07975873 -6.04282358 -0.71018677 -5.84815359 Ca 1.24537208 4.46810763 1.31801320 10.94693934 12.23130373 -6.18951311 Cd 3.36591567 3.11607278 0.07004720 -9.90091713 8.57337612 -11.41991689 Ca 4.75225921 4.41733951 1.73892596 16.63592715 16.27324757 -8.96982210 Ca -0.14312801 -0.02335587 3.24122900 -3.91568443 -3.35062756 -4.05832359 Ca 1.78113183 1.50653673 4.42534241 -171.33354454 -136.62188813 143.69578331 Cd 3.18443990 -0.07675580 3.17626427 0.30163469 -10.52356071 -8.78362139 Cd 4.22051529 1.69273990 4.30722932 139.86392400 -128.94388325 141.17678201 Cd -0.13796181 3.10774784 2.73868343 -9.05281208 -8.30522426 11.23314564 Cd 1.51122400 4.63388149 4.57074806 -0.48937631 -1.52725052 -0.31732368 Ca 3.20071341 2.82858036 3.14720807 1.34786613 241.87079933 -292.53689023 Ca 4.32329840 4.54208351 4.70426301 16.85798364 24.81167341 23.51936813