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=26607.073121239242 stress="-126980.6887400181 -18282.475223117406 6603.541379798553 -18282.475223117406 -164656.49479707098 -16507.980970867793 6603.541379798553 -16507.980970867793 -40886.507238858845" pbc="F F F" Rg -0.18260564 0.44422791 0.27672962 -58.87005970 -23.03558191 -24.54551728 Rg 1.54517383 1.16730760 1.03617546 115.33366842 -99.29096595 -24.00469248 Rg 2.19023213 2.90422554 0.17405994 18.15120249 52.35601820 -20.47001290 Rg 4.64144975 3.82213851 0.80276251 -127.64216585 -223.07240829 157.30562739 Rg 2.72873073 -0.35130719 2.97094620 0.75241435 6.71685929 1.30852504 Rg 3.74562374 1.70377161 4.50164335 44002.81574832 -20635.07579741 1296.28663315 Rg 0.47522023 2.28307913 2.21594507 -105.43763641 13.94031554 39.15097292 Rg 1.41127683 3.77845273 3.16997704 34.35291209 56.02459611 40.52938800 Rg 4.29851324 -0.30184955 -0.09882567 -47.24459125 -31.94323871 -28.86149576 Rg 5.75057988 0.74564994 0.86282118 45.74556385 37.89481068 31.88384782 Rg 7.98012252 2.26364412 -0.19938626 -3.28015564 -11.37488311 -12.17234855 Rg 8.07195710 3.58307993 1.53765694 215.61994377 -470.15293272 -669.00205830 Rg 7.10310069 -0.03402135 2.65726413 -0.34003773 4.56104270 4.48774848 Rg 9.23323044 1.50215921 3.48764880 -5.48101008 1.43889046 -0.36170997 Rg 5.24471524 2.38837629 3.06070690 13.51005204 6.78442463 -10.61774523 Rg 6.38820026 4.65553292 3.58277204 -7090.56748141 654.73060402 3635.54337964 Rg 0.23747057 5.06621512 -0.03860169 5.10848292 1.83791965 5.52372794 Rg 1.25041200 6.86180176 1.68772934 13084.91004839 1314.71130054 -10289.33657959 Rg 2.28249069 7.22612715 0.28768598 273.45868675 91.52965012 -377.35988215 Rg 3.77479751 8.90036235 0.63319915 5.12831038 2.34665670 4.46896990 Rg 1.97064467 5.68472119 2.07937617 4433.07482621 -7239.68978948 2406.47931816 Rg 3.50975328 7.11694008 3.17495262 -12368.32292118 1165.32474331 1644.97301686 Rg 0.08004810 7.24524358 2.23101926 -17789.01477115 5828.45882853 8261.10859104 Rg 1.65749297 8.84556083 3.91342853 -4.37424883 83.01900577 -99.59371237 Rg 5.42620408 5.18841761 -0.14282869 -1616.03346731 -4285.30796190 -6388.12562956 Rg 5.74594693 6.01477093 1.00068987 1746.54067779 4505.49462103 6239.70114847 Rg 8.11761638 7.22248307 0.01115676 -26.25774143 -147.99397807 -75.44026557 Rg 8.38595413 8.89433238 0.89916858 22.60552097 144.84632191 78.03157462 Rg 7.64295246 4.52965221 2.88722574 1448.27448889 -13788.27617558 -7797.04301257 Rg 8.14829604 5.74565866 3.28626176 5655.66411252 13557.48323567 4438.26593155 Rg 4.88864275 6.98731403 2.99167489 12359.29450048 -1189.50531736 -1651.96125544 Rg 5.44664310 8.86666813 3.84371716 6.33539925 19.17976884 12.26169584 Rg -0.10372854 -0.02351432 4.76712412 2.81539228 2.58309541 0.16768075 Rg 1.68255904 1.20691941 5.96093924 -32.16074040 -21.74996500 28.61738081 Rg 2.60575027 2.23967954 4.46808732 -44112.70301249 20783.60550312 -1344.90611275 Rg 4.21585761 3.55380097 5.89175787 -118.60342065 -0.58066944 -106.26493668 Rg 2.36849567 0.31914630 7.82848989 -211.58746541 -69.39702539 -191.90330031 Rg 3.66620873 0.70800815 9.06475446 217.72192539 67.33192816 204.19122706 Rg -0.17582705 2.24605693 7.14140097 -51.51577039 -29.28075340 -34.76601632 Rg 1.38950545 3.08601677 8.11093861 56.77919085 28.20476744 29.90928139 Rg 5.09349649 0.37024656 4.64472345 126.27967067 -123.05883655 9.75223166 Rg 7.06119741 0.91588766 5.81543544 12.36773650 19.16324624 -83.73453542 Rg 7.22337766 2.55764814 4.52491353 0.65841744 33.64197484 -26.39781857 Rg 9.06097888 4.49097641 6.11526253 11.43893238 -6.85124434 -23.41344525 Rg 6.82588718 0.14173334 7.59593266 -14.68388583 -43.48486249 107.68699926 Rg 8.45252417 1.91682896 8.66676666 -3.55250499 0.82366192 -2.97897855 Rg 4.95023622 2.89399962 7.53140000 -378.18318833 -452.07837504 -144.10942614 Rg 6.11983649 3.93895005 8.28074757 417.01794847 379.88332872 286.73267224 Rg -0.30846727 4.88187251 4.75870546 1.99604497 -1.91932455 -2.16127126 Rg 1.36738334 6.39103405 5.40644816 -27111.10348594 -81940.49731606 4638.88579853 Rg 1.74575036 7.53455113 5.34165627 27104.16758849 81845.99717478 -4554.91140840 Rg 3.47853931 8.25437158 6.43179551 15.49977049 1.93039703 10.16807222 Rg 1.90279728 5.71487126 7.56624932 -222.98395700 -71.45675013 -177.70509139 Rg 3.29328160 6.16393465 8.68223567 58.46568495 11.72909112 202.40164225 Rg 0.10867187 7.44643817 7.36835744 -8.92865612 -9.58312592 -23.25036573 Rg 1.28591523 8.07681512 9.05068189 16.49961225 3.76275300 16.59162555 Rg 5.49635386 4.86413855 5.10510173 -193.98084381 97.00792174 370.00495617 Rg 6.60862084 6.56856969 5.85856223 -7328.76586747 -10610.90158258 5368.17627493 Rg 7.33596173 7.62136231 5.32731465 7335.45126869 10619.74050175 -5363.71895006 Rg 9.21192286 8.91216238 5.95487491 0.15586783 -0.11691940 0.82387255 Rg 7.85071950 5.06400163 7.77428848 -9998.93129041 -17867.05434155 -18636.52604691 Rg 8.32560776 5.91328441 8.65951580 10001.48359361 17890.48374079 18645.50700772 Rg 5.05614551 6.82976236 8.40779485 165.95182941 61.39385038 -29.53623277 Rg 6.83521295 9.04514202 8.67158626 -0.87665731 -3.23242781 -1.74696568