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:forces:R:3 energy=-979.7994570539573 stress="5424.365335826891 370.6469464743752 -465.83841667229353 370.6469464743752 5273.164857256275 379.5555724111591 -465.83841667229353 379.5555724111591 5384.661079137407" pbc="F F F" Pd 0.03855109 0.23010044 0.09566688 29.47429014 97.00907166 138.03553756 Pd 1.86485755 1.62033173 0.17828948 0.49077693 296.24612055 381.39899179 Pd 1.71182891 -0.06289319 1.23241985 185.66748915 39.36500888 -228.50211499 Pd 0.07255377 1.51129231 1.51258782 85.89039542 56.56503156 113.32592907 Pd 3.16911338 -0.22008375 0.12365747 -56.32507578 44.33605394 301.54386374 Pd 4.66491685 1.24887522 0.00947284 -13.79751541 -75.27094060 66.68986874 Pd 4.36894099 0.04737131 1.53238783 -428.22714449 384.45195988 -206.40938130 Pd 3.24404962 1.32685478 1.66990419 506.94555770 -87.06726220 11.39461047 Pd -0.06013107 3.23229090 -0.16519419 -13.35238826 29.31239880 25.30767981 Pd 1.66832299 4.50253940 -0.02784745 175.95762463 -122.42017362 53.65164075 Pd 1.68492541 2.83178173 1.38323780 299.66265750 -40.63264695 -357.43701571 Pd -0.27026212 4.59934526 1.32978153 -2.88268573 -20.90915440 -35.29225921 Pd 3.06388139 3.27005560 0.22750147 -70.66358565 401.66049246 385.41381136 Pd 4.62593290 4.09163341 0.18050105 -326.03416141 -179.96231837 16.83679933 Pd 4.41812645 2.70122014 1.73212867 -396.89492147 -304.64514845 349.56724681 Pd 2.75294705 4.26067717 1.67871475 -482.83103692 -418.20555362 96.93969707 Pd 0.19104769 -0.03149010 3.00493624 539.83278022 458.12161424 185.94689799 Pd 1.28353165 1.20072959 3.01229390 -495.68017622 -561.57012405 110.98446843 Pd 1.31492915 0.05209269 4.47934097 -82.40083676 151.41742911 -416.65800422 Pd -0.10985556 1.50090454 4.49470152 44.91485678 -40.72684343 -11.52837339 Pd 2.91624477 0.02527601 3.36759551 52.20338664 189.84309641 307.84439544 Pd 4.53806039 1.57797747 3.24526521 -339.47350973 121.02261946 214.97186376 Pd 4.40065230 0.25694295 4.48321230 -365.91313903 407.68204521 -319.66382622 Pd 3.13365273 1.53064794 4.47904547 366.21171428 -310.99328255 -322.26517534 Pd 0.24787920 2.92588762 2.71223271 199.67047889 -186.39804961 -86.66041623 Pd 1.67379638 4.40411058 2.95742157 418.69030650 -260.82388768 -86.72588860 Pd 1.50467584 3.03320948 4.15092222 83.41276918 372.34310182 -280.73178403 Pd 0.20040666 4.55646809 4.57425017 14.09700169 -23.54837830 1.96613443 Pd 3.16980798 2.84116941 3.02184289 309.21739652 -213.07349522 -163.98165607 Pd 4.64660017 4.69575569 2.99534480 9.77599978 13.54550116 -2.78386654 Pd 4.71512442 3.03480345 4.53310309 8.36429989 -84.34786245 -61.84867544 Pd 2.81305510 4.34472026 4.46070040 -256.00360499 -132.32642363 -181.33099927