64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-82.13089400936443 stress="-0.00014503886758915726 -2.4404302960081652e-05 -4.3236265835218426e-05 -2.4404302960081652e-05 -0.00013155677040718343 -1.8029358660432435e-05 -4.3236265835218426e-05 -1.8029358660432435e-05 -8.146360308106141e-05" pbc="F F F" Pd 35.11370303 35.12344815 34.72365779 0.30736590 0.19822264 -0.02168749 Pd 36.32895218 35.87458970 36.65674937 0.81039075 0.72561717 -0.57257082 Pd 37.67095038 37.32507085 34.59696809 -0.02157473 -0.29594029 1.32863719 Pd 38.90199409 38.41068129 36.60760404 -4.52272204 2.26475675 -4.83900055 Pd 37.96522721 34.75439459 37.80820902 -1.45205678 -5.18306282 -2.03649792 Pd 38.46963622 36.05539633 38.35320685 -0.69735146 3.56128908 1.46618916 Pd 34.94151616 37.10433959 37.70438499 -0.08448232 0.37797623 0.39398006 Pd 36.32550802 38.67010011 38.95988817 -3.13080772 -0.19552222 -3.38433601 Pd 39.73334514 34.69654053 34.86354409 -0.70622757 0.48084648 0.93250038 Pd 40.75203356 36.63688112 35.83824509 -1.77959505 -2.22309422 0.38895185 Pd 42.22023252 37.79785791 35.31841281 -0.54298719 0.43864481 -1.15486338 Pd 43.69751650 38.67139371 35.88921942 1.91286875 1.43638291 1.50816225 Pd 42.00121598 35.02048984 37.40808527 -0.82329802 1.04206877 0.16558189 Pd 43.80001301 36.33161510 38.26927222 -0.88288574 0.70487212 -0.26751929 Pd 39.86230136 37.75156541 37.74673192 2.31037013 -5.06735885 1.41211324 Pd 40.85694090 38.99211558 38.81343399 3.07962471 2.77017956 -1.04057917 Pd 35.12996245 40.44332522 35.29863537 -0.72186718 -1.69741616 -0.30962098 Pd 36.41872942 41.51987678 36.24182058 1.52481585 0.66492004 -0.59343605 Pd 37.93102991 42.78488910 35.11944526 -1.09048406 -1.07945652 -2.97809547 Pd 38.84108572 43.27038785 36.53966064 -0.62581202 3.39103721 1.83754138 Pd 37.30674526 40.14547535 37.74552446 -0.24109941 0.13731924 -1.90487437 Pd 38.80534914 41.15095341 38.92382839 -0.56747181 1.01905225 2.15063755 Pd 35.33117492 42.55836878 37.62788573 -0.20125811 0.35629190 1.79457526 Pd 36.57808439 43.88173372 39.45078616 -2.97965852 1.95296295 -2.05023268 Pd 40.22251000 40.24364830 35.39090109 -4.09315352 -2.60645059 -2.54101313 Pd 41.30800575 40.96063857 35.93842517 4.21837202 -0.73464774 2.01425433 Pd 42.24120044 42.43450067 34.99880483 0.38707773 1.57820935 -1.23220961 Pd 43.72359501 43.37579799 36.09963249 -0.14738973 -0.30146497 1.33617814 Pd 42.92722334 39.95895876 37.84838244 -0.44796160 -3.28967333 -2.19544795 Pd 43.40983348 41.52109014 38.68124647 3.27706317 2.24490548 -1.66200397 Pd 40.06754574 42.05695144 37.40284988 2.92787594 0.07825092 2.09930914 Pd 41.55281345 43.98515741 38.59919096 -0.41646825 -1.05207319 -0.25670920 Pd 34.92293429 34.53900512 40.51124920 0.49907438 0.48433308 -0.48191591 Pd 36.19635628 36.47405928 41.36196296 2.69915551 -2.66607280 -2.11920246 Pd 37.40208399 37.87458466 39.63213332 4.38789670 -2.87501181 3.17252294 Pd 39.20906900 38.33604388 41.71914856 -2.39138977 2.21176896 -2.66062656 Pd 37.58683335 34.94774168 42.93579195 -2.11059790 -1.71302429 -1.51641827 Pd 38.76227964 36.17580171 43.30991366 -0.89694258 0.09854365 2.40974729 Pd 35.29763519 37.63920620 42.23960379 -2.00408354 2.78979814 1.27148339 Pd 35.86367604 38.67006226 44.18518579 1.08189979 0.49230587 -0.56748790 Pd 40.06797210 34.96545013 39.22914765 2.32603142 -0.02260047 1.38561531 Pd 41.57894161 35.95214372 41.48093396 0.75194556 0.92820463 -3.07077300 Pd 42.57750064 37.96366766 39.64764578 0.17124651 -2.97408603 0.29129521 Pd 44.04368674 38.97025637 40.65147216 1.11946787 1.14847275 0.58909606 Pd 42.11220611 34.60062509 42.69533077 0.10336748 -0.61959002 1.12682070 Pd 44.21134477 36.41611730 43.74400789 -0.70757225 0.27527288 -0.62478090 Pd 40.10374949 37.24859303 42.46763961 4.51148421 -2.30217424 1.38783194 Pd 41.34102440 38.97060691 43.31574899 -1.95622294 -0.42904215 3.19759992 Pd 35.02698724 39.65189121 40.06317802 -4.05560500 -0.14142804 -0.68410458 Pd 35.80658407 40.77745244 41.37488659 1.84439873 0.69904427 1.93329062 Pd 37.71948410 42.88826415 40.17728387 -0.57858223 -3.43984165 -0.00314145 Pd 39.24566835 43.39269776 41.37884593 3.71738545 3.26475967 -2.28001282 Pd 37.63629877 39.67536678 42.13986266 -0.89915816 1.31052351 1.01048723 Pd 38.67359726 41.27333546 44.03717801 -0.25162107 -1.52384532 0.00309171 Pd 35.13744723 42.57186071 41.64863324 0.10893461 2.17010218 -0.00167505 Pd 36.47185425 43.76239893 43.53173797 0.67449652 -0.86189457 -0.83220582 Pd 40.11824608 39.45576953 39.80882088 -1.32583809 0.82128800 3.50486531 Pd 41.20127958 41.50126359 40.85683667 -4.68247694 -2.09467623 3.22703967 Pd 42.44242952 42.23512663 40.17100236 2.05556893 3.95369910 0.57941939 Pd 44.06578688 43.13626901 41.58680038 -0.38460275 -0.31438271 0.47867869 Pd 42.46399076 39.71764102 42.27562181 2.61573572 2.21372861 -2.41314344 Pd 43.78796723 41.73240474 43.85182066 -0.78514424 -0.03249503 -0.88227483 Pd 39.01121992 42.78144579 42.58017368 -0.80976439 -1.59489236 3.32829643 Pd 41.17255128 43.93723797 43.21153993 0.59230033 -0.95443253 -0.54733260