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=544.5812012653139 stress="-0.018263569620235676 9.71869256514742e-05 -0.0014035273559833384 9.71869256514742e-05 -0.01762767235549345 -0.0005272654772832063 -0.0014035273559833384 -0.0005272654772832063 -0.01818341944195918" free_energy=544.5812012653139 pbc="F F F" Cd 20.85540510 21.11115480 21.11044915 -14.12015411 -46.73576669 -37.47370488 Cd 22.70960170 22.31143450 20.83833517 -15.72440274 12.04790062 -37.28821209 Cd 22.32198775 20.83509776 22.66640352 11.94964605 -30.05019662 -10.71482635 Cd 20.77812781 22.51878885 22.05164101 -27.25914198 31.10407398 29.88310213 Cd 23.84054841 20.95894820 21.20259391 10.59669947 -48.45772692 -20.27771447 Cd 25.56504129 22.11449487 20.86550211 25.43121400 3.80412652 -32.28766566 Cd 25.28802619 21.22277084 22.68584377 27.59958124 -80.00245681 -58.18897229 Cd 24.18362810 22.69581920 22.40244725 -55.87111572 -53.13342031 10.51009333 Cd 21.26959405 24.17626233 20.85402479 -42.75591268 0.30122161 -49.52651277 Cd 22.70996341 25.49207130 21.15300231 -19.30879354 64.09650897 -57.75064267 Cd 22.53848316 23.95774659 22.12030630 -25.48054216 -39.93413613 40.96416118 Cd 20.95789336 25.38825682 22.56916429 -27.42173868 32.79428225 -7.59558469 Cd 24.19178619 24.17895518 21.29140871 -1.57933924 -13.01630002 -117.43980098 Cd 25.61455359 25.53253581 21.14904689 25.72012664 26.39308934 -18.89002809 Cd 25.28091226 23.87900266 22.46603997 114.90837339 10.66314782 15.94457839 Cd 23.80598025 25.32157598 22.51361598 15.81435775 82.13457468 32.17909188 Cd 20.85198705 20.97567541 23.94420113 -50.12186878 -25.87773038 -4.78512322 Cd 22.29882101 22.27846858 24.05286963 18.53265766 34.74962895 -16.09282047 Cd 22.34126820 20.84140700 25.31668137 10.17360281 -44.68222836 32.98696145 Cd 20.91986395 22.24396547 25.59073906 -27.80503728 14.10062826 29.21248290 Cd 24.27219963 20.93381326 24.13132919 -30.55051761 -33.82299992 17.73786191 Cd 25.75978669 22.22592512 23.78504734 57.50601985 50.51938981 58.05856857 Cd 25.68365717 20.94934360 25.58343331 16.57542633 -8.68388838 22.08952604 Cd 23.77778834 22.36811319 25.72094491 8.05048105 6.34798737 23.98116617 Cd 21.23171545 24.18190327 24.02253701 -43.19470111 -33.21392799 -19.91291031 Cd 22.71219253 25.42485375 24.12990665 -11.90056591 61.56584843 -23.88337324 Cd 22.28220450 24.28278197 25.56210000 35.85454268 -77.45562332 54.88345502 Cd 21.13362859 25.32702941 25.57034430 -74.02757870 69.79600174 29.80910266 Cd 24.04852473 24.05473499 23.91561068 -18.50541156 -33.10083252 18.93209727 Cd 25.63661615 25.40480033 23.58062463 32.34187868 38.28031895 14.63066550 Cd 25.29869006 24.11041876 25.26735611 48.04759113 -14.47401341 32.88114449 Cd 23.83533445 25.24148635 25.58611608 26.52462307 43.94251849 47.42383326