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=693.580124422 pbc="F F F" Ca -0.11090311 0.13714415 0.07420351 20 -833.27400302 -605.31564272 -641.43564788 Ca 1.61543713 1.31143450 0.13708343 20 151.44110914 332.56842504 -1171.84411027 Ca 1.28829595 -0.10654689 1.38687053 20 341.07262876 -1106.50607752 281.14402298 Ca -0.02117016 1.51878885 1.03177410 20 -973.96299019 336.03851157 122.98217565 Ca 2.77764571 -0.04311633 0.48446629 20 -95.10040694 -1016.03571524 -759.43013230 Ca 4.56504129 1.20865944 -0.12448597 20 822.97784870 -59.35893489 -1146.80868181 Ca 4.28802619 0.20730423 1.68584377 20 781.96665203 -754.38185174 191.80163564 Ca 3.28532931 1.57375285 1.36589395 20 -243.91333773 -11.22270824 291.20277291 Ca 0.27042007 3.42250330 -0.00295120 20 -687.34386987 -42.12659047 -885.42690062 Ca 1.70996341 4.49207130 0.00799124 20 188.60090426 1085.62274101 -1049.97079794 Ca 1.64891175 3.16721783 1.27365008 20 290.37962347 -597.53897827 305.39423946 Ca 0.01070050 4.38825682 1.27041603 20 -1287.25390302 901.25392804 -87.73117524 Ca 3.19178619 3.09229401 0.13796362 20 277.40134918 -318.87651648 -1223.51270269 Ca 4.61455359 4.53253581 0.02145925 20 516.27222032 746.54896083 -376.20671243 Ca 4.28091226 2.92840138 1.37653157 20 897.22427642 -185.39108992 -34.62981480 Ca 2.52884445 4.32157598 1.45219671 20 157.11191484 959.31721887 233.84306508 Ca 0.00687488 0.03556082 2.76575672 20 -1041.63679583 -655.66880869 -230.42329543 Ca 1.43745442 1.27846858 3.15882511 20 268.66628028 656.69758587 -394.52757736 Ca 1.34126820 -0.12581587 4.31668137 20 317.06068097 -962.53505506 778.95595166 Ca -0.18041631 1.24396547 4.59073906 20 -855.86599000 407.10212650 722.81621790 Ca 3.14586098 -0.10521001 2.91352227 20 -248.76271906 -993.96978723 162.85972606 Ca 4.75978669 1.22592512 3.00318627 20 1353.55851186 13.04212539 -4.59415568 Ca 4.68365717 -0.02995208 4.58343331 20 426.40083238 -529.94200850 617.48641987 Ca 2.98995639 1.44809454 4.72094491 20 -238.13217256 -58.06503627 931.09007683 Ca 0.06268043 3.06391524 2.75484090 20 -1100.56347548 -546.21379070 67.70261779 Ca 1.43221735 4.42485375 2.90687092 20 322.98772711 1163.18516900 1.17612630 Ca 1.19882008 3.24790389 4.56210000 20 -15.51102915 -513.79620709 901.52335087 Ca 0.35949420 4.32702941 4.57034430 20 -592.15819164 464.70857916 727.90410737 Ca 3.34243667 2.78088028 2.91561068 20 -627.03493507 -32.22754634 282.80936422 Ca 4.63661615 4.40480033 2.89822649 20 657.09328220 1148.15459967 -99.32547648 Ca 4.29869006 2.88803232 4.26735611 20 802.14003173 5.81032817 787.76817239 Ca 2.83533445 4.24148635 4.58611608 20 268.15794589 769.12204628 697.40713792