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:Z:I:1:forces:R:3 energy=4642.278658260997 pbc="F F F" Xe 0.04559787 0.13654734 0.52687053 54 -11.33354739 -6.91411469 -8.45809936 U 1.60789812 1.19208140 1.64210059 92 5.09095317 8.80974744 1.22247424 Xe 3.01251674 3.30455362 0.04207029 54 -9.82306590 -4.12330782 -12.94845922 U 4.18945996 3.18943691 0.93020427 92 -124.68644781 -259.23800509 149.43562232 Xe 2.58456872 0.29432325 2.04879294 54 4.16812526 -10.93262194 0.92403426 U 3.30071159 1.93729520 3.88801991 92 16.99884396 -12.85203203 -0.71957082 U -0.08165236 2.57789093 2.40501053 92 -7.05973087 1.64201396 -0.30994795 U 1.19308739 3.98960603 3.81463781 92 186.10299127 -135.21805357 -175.65093887 U 4.99943715 0.23654611 0.83459303 92 -309.61749729 -100.61218194 -109.10292094 Mo 6.05829075 0.59041622 1.18612947 42 -6.66923025 377.53891913 -275.94264012 Xe 7.12194361 2.28836692 -0.13078374 54 3.06550034 4.76585666 -6.53799372 Xe 9.16515985 3.80866074 1.63974970 54 2489.07413750 -1553.99601695 -881.47136225 Xe 6.85189817 -0.14296842 2.16013942 54 314.99308729 -290.19917613 382.07365900 U 8.64966911 0.82407630 3.82278018 92 176.13842422 -180.92332612 -214.20956176 U 5.22069859 2.35930949 2.68060275 92 4.20654686 -6.11746914 2.87502475 Xe 5.72508145 3.05292379 3.24155002 54 7.83969626 7.60821192 7.50079598 Mo -0.32902777 5.48801369 0.13636193 42 0.82435452 0.01755943 0.14565092 Mo 1.42451629 5.86497877 1.48396813 42 -249.97146465 445.13214776 -235.50048133 U 2.16969714 7.99591221 -0.30848108 92 1.62782868 0.87752942 1.57338013 Mo 4.02576017 9.08282107 0.86229873 42 -2.09037931 -1.97237749 -1.84288297 Xe 2.05074168 4.74919669 2.07304471 54 249.13520911 -438.57637731 228.38950765 Mo 3.75354665 5.59751741 3.75429217 42 -0.05739643 -3.57186921 0.19977429 U 0.03237046 7.97318435 3.39119048 92 -9.94642054 -3.98526096 -5.53807564 Xe 1.39809749 8.63861785 4.22346738 54 -1920.78198061 1972.91392859 -1330.17625356 Mo 4.95055505 4.77412794 0.00267008 42 129.10893261 265.47555145 -155.53051929 Mo 6.29510282 6.04790917 1.71002193 42 272.69251321 -359.93890333 -315.95321148 Mo 7.52335215 7.40988482 -0.24847675 42 3.13795575 4.37985138 3.47318340 Mo 8.86161472 9.06654915 0.74748529 42 -4.02127000 -4.99488967 -2.96251570 Xe 7.88505101 4.60823974 2.09331847 54 -2479.08841733 1542.02892043 875.26698377 U 8.87381565 5.66609057 3.83803257 92 4.13131190 5.62984964 9.25601388 Xe 5.45407375 7.14929708 2.64661844 54 -281.87200209 368.59869571 307.82443804 Mo 5.85567542 8.68056647 4.42174464 42 -314.09105856 44.68506535 -76.88506856 U -0.01270709 0.28654770 5.17714147 92 -4.86004343 -4.10171734 -6.21028242 Xe 1.28218143 1.50380611 6.56038068 54 -323.29307913 526.31321308 -199.24522945 U 2.23857851 2.58514259 4.38726319 92 11.42496048 -27.15337143 23.86660156 Mo 3.64372915 4.12974508 6.46099996 42 2.71782545 -2.92592720 -5.26898598 Xe 2.36277149 -0.20863879 7.20281650 54 330.11989048 -533.81672602 196.24700983 U 4.12442290 1.10517696 8.51017089 92 -1.16054006 -6.48342267 5.40404812 Mo 0.13013197 2.35942209 8.20723984 42 -13.16965471 -0.80024893 8.31409132 Mo 1.35520122 3.58092945 8.55146793 42 -92.59891406 -262.71365246 174.22773025 U 4.76557819 -0.39054202 5.30365225 92 0.92586154 1.18568306 1.11913493 Mo 6.43927629 1.97863943 6.37870417 42 -7.01526146 0.18017742 -2.15538213 Mo 7.63839499 1.88286082 5.08641836 42 -170.25775952 176.88837771 206.30778745 Mo 8.57208783 3.36260079 6.26084782 42 10.44294111 -1.45575759 -15.21759933 Mo 7.44377486 0.29908304 7.25765412 42 -5.18928023 -11.86196220 -3.87265245 Xe 8.70520940 1.67739510 8.42209669 54 9.44375195 1.66256866 9.74954136 Xe 4.98973313 2.68969674 8.03754316 54 -1.27755601 0.51794854 -0.88096444 U 5.45523738 3.96988944 9.12305477 92 2.15630324 7.44111971 8.00064163 Mo -0.19683887 5.09440314 4.88611193 42 -392.97935108 70.80840389 7.34637105 U 1.25721955 5.99627711 6.28299517 92 164.73213360 90.85346449 103.30455236 Xe 2.47951907 7.53551810 4.97216465 54 1825.31452331 -2019.97601384 1245.85311663 Xe 4.12751482 8.46631850 6.22412552 54 -910.15290234 802.33494157 -601.08326962 U 1.82915673 4.88559546 7.71590675 92 99.78901627 233.78058934 -135.68043226 Xe 3.38137001 5.89370955 9.11207876 54 5.82251481 7.54124153 8.28662034 U 0.70196656 7.33391478 7.23973540 92 -19.39937758 31.11869391 18.65019871 Xe 0.87399917 8.71754476 8.71614072 54 0.81364639 9.40305932 9.53373607 Mo 5.38488072 5.14064471 5.32883730 42 -119.79079268 -224.19930410 -207.55139874 U 6.09100167 6.40219959 6.49320635 92 131.63800466 213.87952655 203.23725591 U 7.57692531 8.46566061 4.84097011 92 177.30884399 -32.75628926 -219.25759440 Mo 8.40167327 8.43371741 6.56725880 42 142.22459666 -5.47701398 296.77638619 Xe 7.99114670 4.33364769 7.99327531 54 -3.09257138 12.44890687 14.49685052 Mo 8.16020671 6.78048018 8.72285262 42 -0.81850055 1.44051085 1.08436085 Xe 5.56336642 7.42323286 7.19614129 54 1012.08849136 -730.05197365 693.31261256 Mo 5.78589062 8.71740334 9.17355358 42 0.86577604 0.03708932 0.88510451