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=-979.7994570539607 stress="0.0732151675821579 0.005002793252272705 -0.006287636549404461 0.005002793252272705 0.07117434479613802 0.005123037096576328 -0.006287636549404461 0.005123037096576328 0.07267926086731191" free_energy=-979.7994570539607 pbc="F F F" Pd 21.03855109 21.23010044 21.09566688 29.47429014 97.00907166 138.03553756 Pd 22.86485755 22.62033173 21.17828948 0.49077693 296.24612055 381.39899179 Pd 22.71182891 20.93710681 22.23241985 185.66748915 39.36500888 -228.50211499 Pd 21.07255377 22.51129231 22.51258782 85.89039542 56.56503156 113.32592907 Pd 24.16911338 20.77991625 21.12365747 -56.32507578 44.33605394 301.54386374 Pd 25.66491685 22.24887522 21.00947284 -13.79751541 -75.27094060 66.68986874 Pd 25.36894099 21.04737131 22.53238783 -428.22714449 384.45195988 -206.40938130 Pd 24.24404962 22.32685478 22.66990419 506.94555770 -87.06726220 11.39461047 Pd 20.93986893 24.23229090 20.83480581 -13.35238826 29.31239880 25.30767981 Pd 22.66832299 25.50253940 20.97215255 175.95762463 -122.42017362 53.65164075 Pd 22.68492541 23.83178173 22.38323780 299.66265750 -40.63264695 -357.43701571 Pd 20.72973788 25.59934526 22.32978153 -2.88268573 -20.90915440 -35.29225921 Pd 24.06388139 24.27005560 21.22750147 -70.66358565 401.66049246 385.41381136 Pd 25.62593290 25.09163341 21.18050105 -326.03416141 -179.96231837 16.83679933 Pd 25.41812645 23.70122014 22.73212867 -396.89492147 -304.64514845 349.56724681 Pd 23.75294705 25.26067717 22.67871475 -482.83103692 -418.20555362 96.93969707 Pd 21.19104769 20.96850990 24.00493624 539.83278022 458.12161424 185.94689799 Pd 22.28353165 22.20072959 24.01229390 -495.68017622 -561.57012405 110.98446843 Pd 22.31492915 21.05209269 25.47934097 -82.40083676 151.41742911 -416.65800422 Pd 20.89014444 22.50090454 25.49470152 44.91485678 -40.72684343 -11.52837339 Pd 23.91624477 21.02527601 24.36759551 52.20338664 189.84309641 307.84439544 Pd 25.53806039 22.57797747 24.24526521 -339.47350973 121.02261946 214.97186376 Pd 25.40065230 21.25694295 25.48321230 -365.91313903 407.68204521 -319.66382622 Pd 24.13365273 22.53064794 25.47904547 366.21171428 -310.99328255 -322.26517534 Pd 21.24787920 23.92588762 23.71223271 199.67047889 -186.39804961 -86.66041623 Pd 22.67379638 25.40411058 23.95742157 418.69030650 -260.82388768 -86.72588860 Pd 22.50467584 24.03320948 25.15092222 83.41276918 372.34310182 -280.73178403 Pd 21.20040666 25.55646809 25.57425017 14.09700169 -23.54837830 1.96613443 Pd 24.16980798 23.84116941 24.02184289 309.21739652 -213.07349522 -163.98165607 Pd 25.64660017 25.69575569 23.99534480 9.77599978 13.54550116 -2.78386654 Pd 25.71512442 24.03480345 25.53310309 8.36429989 -84.34786245 -61.84867544 Pd 23.81305510 25.34472026 25.46070040 -256.00360499 -132.32642363 -181.33099927