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:Z:I:1:forces:R:3 energy=24.8751048966 pbc="F F F" Cd 0.21686778 0.24227223 -0.01534395 48 -2.40194956 -22.97744511 2.00513364 Cd 1.62031783 1.38943632 1.95143298 48 25.20125557 5.97966378 -29.07750008 Ca 2.90242926 -0.07941940 0.17102325 20 3.58732497 -5.91566147 -5.92335339 Ca 4.72414249 1.30075261 1.53039967 20 8.00874205 2.46057591 -4.07137330 Ca 0.21465687 2.59415447 -0.15249161 20 -5.38647264 22.53434340 -4.43067322 Ca 1.20575425 4.46963223 1.44334062 20 9.59432116 23.13974814 -14.24993843 Ca 2.79872293 2.71220404 0.01145296 20 4.60741031 2.83135520 -5.86202873 Ca 4.62036030 4.45631248 1.57308506 20 19.61329180 18.20691677 -18.74003596 Cd 0.40441607 0.04484204 3.00196260 48 -20.19696129 -22.65564761 9.79000450 Cd 1.52684340 1.46735012 4.43892605 48 3.28830626 3.48259041 9.06611023 Cd 3.04080208 -0.04006626 2.89577433 48 0.14711433 -19.15270901 6.70819128 Ca 4.55442580 1.35431870 4.28011711 20 8.21886428 0.79044074 9.30902132 Cd 0.25466069 2.78748469 2.73387496 48 -34.44968132 1.95776865 24.71876656 Cd 1.42387446 4.35905213 4.23935341 48 -0.02317323 2.70266853 3.74543848 Cd 3.23757130 3.23709309 2.92866320 48 -26.67798635 -19.55005206 7.58050900 Ca 4.70141938 4.30409975 4.66679713 20 6.86959365 6.16544372 9.43172809