64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=30972.358595900594 stress="-172172.00919172374 -7495.145231542756 52522.85806229823 -7495.145231542756 -141645.99308903544 -26497.67247275138 52522.85806229823 -26497.67247275138 -72560.67214685175" pbc="F F F" Pd -0.07571042 0.01071926 -0.38891768 0.54281021 1.25265867 0.69999341 Pd 0.77147926 1.47828399 1.73510118 27934.21987349 -12788.78915617 -11481.35671823 Pd 1.90168294 2.82987271 -0.10648675 -10.58091397 -3.40666302 -23.58250698 Pd 3.58472631 2.96767236 1.54225653 482.44987425 -2501.88792160 -669.55588797 Pd 1.91124962 0.14430734 3.06457097 2.11083952 -90.03026447 47.03735934 Pd 3.62935881 1.56173785 3.46628525 -66243.81139419 -13436.68855285 28064.13854570 Pd -0.44702997 2.03759575 2.23298561 -27978.00231396 12844.84534906 11433.60271973 Pd 1.11287438 4.05133564 4.05885300 11249.08553410 -17990.57954002 -13828.23321570 Pd 5.57273331 0.02580563 -0.34615965 -3.75843019 -10.31288408 -12.67620981 Pd 6.06291036 1.56404561 1.46294028 28.57591647 -351.14471919 -205.56599868 Pd 7.35747252 2.73256432 0.57564142 -827.04255603 -566.61635064 -810.42463130 Pd 8.69109971 3.73260584 1.25512391 1153.73013209 863.30996964 586.81301859 Pd 7.59872646 0.18332790 2.90327667 -733.30885450 -580.42554408 -103.54576223 Pd 9.05700184 1.33037424 3.12098239 732.07564084 583.16844021 109.68257037 Pd 4.84687056 1.80817816 2.95012014 65999.31503105 13440.63752734 -27629.65356768 Pd 6.46044570 3.54563692 3.28676549 -21419.78964106 -24064.57563211 -556.34118841 Pd 0.05467367 4.53183059 -0.25408154 -19.92978591 -14.04723344 -9.94520248 Pd 1.28112623 6.29191940 0.77002452 48.44660298 -364.64664046 -144.95700680 Pd 2.82895941 7.09977345 -0.15524663 285.73232551 84.05280622 -257.34020623 Pd 3.84105011 8.72638284 0.84550849 50.43316955 100.76872217 40.50057045 Pd 3.24726973 4.61156141 1.95838773 -526.09072730 2544.95271716 652.05904511 Pd 3.38679452 6.62615781 3.82533106 5614.88992397 -13879.82857327 -12116.98466285 Pd -0.01273868 7.00437107 2.02879919 -370.08410261 203.79723695 364.30227308 Pd 1.63078565 9.07086049 4.21981263 -221.40937063 253.69061359 -104.57494789 Pd 4.60631850 4.22235225 -0.16311336 18.95330662 16.43583753 -27.14832651 Pd 6.23010432 5.81957424 1.55950677 -90.19682667 -176.45730282 209.44229014 Pd 6.79599575 7.04349666 0.04155520 76.13213089 174.33941863 -221.96352369 Pd 8.65472900 8.76153338 0.43714600 3.89859942 3.76967372 2.01324876 Pd 7.41173719 4.61600834 3.31012630 18341.07133776 21685.84341764 -1860.88477808 Pd 8.52635470 5.48638615 4.18008857 3187.70630995 2370.73427020 2277.39168235 Pd 4.58002962 7.43294746 2.73758732 997.86180173 659.94361826 -886.04043692 Pd 6.83568335 8.76801371 3.71795899 0.96764100 48.13449094 -58.31918265 Pd 0.18364907 -0.07008227 5.58344783 -261.06207564 -423.98470657 -337.47602494 Pd 1.02344931 1.29619898 6.65768970 1041.05455905 -1678.72321361 -2658.40197432 Pd 2.43712085 2.58981148 4.99779684 -9712.79126290 -11509.40210485 -8808.88916815 Pd 3.27148992 3.57504159 5.76234106 9847.31466067 11353.10398474 8772.86204827 Pd 2.22794941 0.05978269 7.34606115 339.22738041 -851.15257579 164.46131476 Pd 3.72398500 0.90810281 8.32782956 164.04892477 -78.42493007 367.93270014 Pd 0.43395943 2.43611734 7.73429767 -1663.62242999 2433.83264148 2212.99538603 Pd 1.20339870 3.58255225 9.09057478 232.01059642 342.69596236 405.81951957 Pd 4.73998739 0.81674540 5.43810620 -28.71940703 -20.40752166 2.11630111 Pd 6.82901675 1.32502350 6.28576984 -728.90524399 -1867.28890252 1647.43406165 Pd 7.33857503 2.57427625 5.19902228 593.29073936 1690.77231441 -1855.30367200 Pd 8.37792122 3.53516716 6.61706470 812.98426093 -621.22702546 -49.38266114 Pd 8.00618441 -0.28692131 8.04014296 -1.05063428 -333.61239296 -133.85884386 Pd 8.01342646 1.57051783 8.79106949 8.82266708 327.83027490 132.03959245 Pd 4.62829198 2.43582549 7.38642899 132.53494897 241.75222174 -174.60423757 Pd 6.15851866 3.23705392 8.89420421 23.80870337 23.73219779 30.57738720 Pd 0.46289320 5.08935292 4.85102655 -11330.72989956 18039.16113240 13749.73322163 Pd 1.70155592 6.23366188 6.43410109 -3377.12955497 13197.94524997 -4247.90083661 Pd 2.88716276 7.62387018 4.80828098 -6546.69847053 12822.56477339 12942.75281160 Pd 4.09845380 8.66064062 6.08587203 -33.41828774 458.79850907 -141.04847587 Pd 2.07161146 4.82672266 6.88652585 3347.33391647 -13079.28573926 4376.99507086 Pd 4.14404935 6.09452460 8.65267800 -160.54722186 -275.94451046 282.36423878 Pd -0.18355642 6.99654882 7.27236972 -77.21855335 31.16964730 34.63670611 Pd 1.25205662 8.93299684 9.10678895 0.35681094 -1.89818141 -1.96224427 Pd 4.91219069 5.53167964 5.46784922 -31.77522044 -13.85859160 -1.46590533 Pd 7.19257308 5.89793106 5.76237601 3908.30368323 -12397.99603153 957.20079558 Pd 6.78656935 7.31120988 5.40021116 -4152.86117554 14411.15564492 -3646.88971967 Pd 8.91712882 9.08358023 6.34584288 -3.23626252 -2.35785662 -0.71279140 Pd 7.27560453 4.92645809 7.14721079 -514.90582320 -1245.63131678 3140.04963214 Pd 9.04481910 5.48883999 8.39914976 54.63804429 18.35533475 38.67942368 Pd 4.88350914 7.36220510 7.32572817 338.51809858 -72.49139507 11.88177319 Pd 6.16127231 9.12954073 8.23575293 16.22964460 20.57731729 8.77521440