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:Z:I:1:forces:R:3 energy=749.239948352 pbc="F F F" Ca -0.11090311 0.13714415 0.07420351 20 -32.41722181 -27.32097980 -41.60961408 Ca 1.61543713 1.06703166 0.13708343 20 -4.19819801 13.52676746 -41.83694661 Ca 1.06120567 -0.10654689 1.38687053 20 13.53746580 -52.93077342 9.24364218 Ca -0.02117016 1.22221844 1.22919618 20 -44.69549605 23.00186197 5.60041912 Ca 2.87472952 0.24082058 0.21260583 20 11.96384555 -34.87168716 -25.13108161 Ca 4.56504129 1.19319283 -0.03279668 20 27.98052515 4.41832303 -31.10777258 Ca 4.28802619 0.10070449 1.40488763 20 22.91703522 -35.76401930 -1.29206060 Ca 3.18445412 1.94206018 1.78987411 20 6.39895657 -26.02299866 -5.37342154 Ca 0.12458298 3.28669092 0.06349603 20 -26.95111800 -13.23390883 -43.53870193 Ca 1.56509191 4.49207130 0.20580945 20 -0.94058675 40.46296676 -28.81833163 Ca 1.45182199 2.80430149 1.29093393 20 -10.17933336 -2.85571635 -0.53186611 Ca -0.21979820 4.38825682 1.18090763 20 -30.93242804 38.49023388 7.93712015 Ca 2.91465039 3.11753591 0.04346291 20 2.02659095 -6.47883065 -54.71735546 Ca 4.61455359 4.53253581 0.30393472 20 26.30953844 31.72126155 -26.50058104 Ca 4.28091226 3.16597834 1.16849742 20 48.25013258 -11.42940656 -1.25019185 Ca 2.97029107 4.32157598 1.51361598 20 0.47051070 47.51265307 0.73912741 Ca -0.15957230 0.00845255 2.96301901 20 -31.92799331 -26.78998434 9.34485865 Ca 1.31111578 1.23944531 2.77670735 20 2.12302123 4.56783556 14.63789755 Ca 1.55940712 0.03550935 4.31668137 20 0.33122773 -23.59283547 27.07001250 Ca -0.19812408 1.24396547 4.59073906 20 -19.09031330 6.33492194 22.00306049 Ca 3.20520555 -0.14957116 3.13132919 20 -1.99048977 -30.22139496 3.18986485 Ca 4.75978669 1.22592512 2.78504734 20 36.86860700 6.57746250 10.22125398 Ca 4.68365717 0.16800915 4.58343331 20 16.72221656 -12.15385089 20.67506656 Ca 3.02171964 1.74200648 4.72094491 20 2.20387865 -11.06101821 29.74005510 Ca -0.04213925 3.20293472 2.59944853 20 -29.54371846 -1.86069812 17.08384380 Ca 1.89439457 4.42485375 3.02353506 20 -20.76131249 46.44650811 -2.57851326 Ca 1.51794307 3.31002369 4.56210000 20 -23.59856076 -16.26476277 31.43663177 Ca -0.09098991 4.32702941 4.57034430 20 -22.20407351 15.77052508 12.78112927 Ca 2.75148805 2.90360800 2.91561068 20 1.77247267 -6.05609605 18.77155614 Ca 4.63661615 4.40480033 2.87719504 20 29.81933237 27.76610754 1.58671750 Ca 4.29869006 3.33125168 4.26735611 20 36.96278490 -6.47042277 25.63831191 Ca 2.83533445 4.24148635 4.58611608 20 12.77270155 38.78195587 36.58586938