32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=544.5811051680118 stress="-0.01826358032626968 9.718537159691124e-05 -0.0014035293721902577 9.718537159691124e-05 -0.01762768174360283 -0.0005272730356074655 -0.0014035293721902577 -0.0005272730356074655 -0.018183445481863823" free_energy=544.5811051680118 pbc="F F F" Cd 20.85540510 21.11115480 21.11044915 -14.12016781 -46.73586403 -37.47383783 Cd 22.70960170 22.31143450 20.83833517 -15.72454155 12.04808543 -37.28829877 Cd 22.32198775 20.83509776 22.66640352 11.94959926 -30.05031659 -10.71483724 Cd 20.77812781 22.51878885 22.05164101 -27.25917671 31.10416302 29.88323991 Cd 23.84054841 20.95894820 21.20259391 10.59678068 -48.45795421 -20.27767060 Cd 25.56504129 22.11449487 20.86550211 25.43132842 3.80420795 -32.28775596 Cd 25.28802619 21.22277084 22.68584377 27.59968349 -80.00276326 -58.18918548 Cd 24.18362810 22.69581920 22.40244725 -55.87121615 -53.13318823 10.51017719 Cd 21.26959405 24.17626233 20.85402479 -42.75605667 0.30123715 -49.52668233 Cd 22.70996341 25.49207130 21.15300231 -19.30889057 64.09650911 -57.75083740 Cd 22.53848316 23.95774659 22.12030630 -25.48068124 -39.93423177 40.96425700 Cd 20.95789336 25.38825682 22.56916429 -27.42174139 32.79412823 -7.59541301 Cd 24.19178619 24.17895518 21.29140871 -1.57924973 -13.01634757 -117.43964992 Cd 25.61455359 25.53253581 21.14904689 25.72015699 26.39306494 -18.89001275 Cd 25.28091226 23.87900266 22.46603997 114.90847598 10.66307676 15.94415586 Cd 23.80598025 25.32157598 22.51361598 15.81465122 82.13448923 32.17940723 Cd 20.85198705 20.97567541 23.94420113 -50.12179791 -25.87772414 -4.78509817 Cd 22.29882101 22.27846858 24.05286963 18.53275846 34.74975926 -16.09285775 Cd 22.34126820 20.84140700 25.31668137 10.17359493 -44.68235338 32.98701123 Cd 20.91986395 22.24396547 25.59073906 -27.80506969 14.10063635 29.21247098 Cd 24.27219963 20.93381326 24.13132919 -30.55057993 -33.82297774 17.73807374 Cd 25.75978669 22.22592512 23.78504734 57.50605791 50.51952469 58.05872127 Cd 25.68365717 20.94934360 25.58343331 16.57537203 -8.68389790 22.08946823 Cd 23.77778834 22.36811319 25.72094491 8.05052490 6.34800931 23.98115199 Cd 21.23171545 24.18190327 24.02253701 -43.19453461 -33.21381948 -19.91315421 Cd 22.71219253 25.42485375 24.12990665 -11.90055694 61.56573565 -23.88388649 Cd 22.28220450 24.28278197 25.56210000 35.85443536 -77.45552298 54.88360955 Cd 21.13362859 25.32702941 25.57034430 -74.02749090 69.79602866 29.80930639 Cd 24.04852473 24.05473499 23.91561068 -18.50583464 -33.10042862 18.93199740 Cd 25.63661615 25.40480033 23.58062463 32.34186781 38.28042079 14.63083911 Cd 25.29869006 24.11041876 25.26735611 48.04769745 -14.47408041 32.88118818 Cd 23.83533445 25.24148635 25.58611608 26.52460155 43.94239380 47.42410267