64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=707.3073433977942 stress="-0.0033622415337898576 -0.0003876356222559716 -0.00043515628524877563 -0.0003876356222559716 -0.003132648864287436 -8.026519279599358e-05 -0.00043515628524877563 -8.026519279599358e-05 -0.003310755578382379" free_energy=707.3073433977942 pbc="F F F" Sr 34.75900849 35.18525799 35.18408192 -13.52965277 -6.31170733 -6.09016981 Sr 36.59933616 35.93572417 35.98055861 -5.82746157 -16.04765787 4.44127487 Sr 37.14715992 37.22516294 35.23402360 4.24320796 16.87479795 -22.99445247 Sr 38.38021302 38.78131475 35.96390753 5.24820654 3.78025539 -12.79437309 Sr 37.29465675 34.93158033 37.63716946 -2.07963808 -18.48261878 4.94812330 Sr 38.85840215 36.22629119 38.32368882 0.19423800 -2.20106161 1.78988692 Sr 34.64671032 37.87128473 37.80973961 -10.87576077 -2.53684731 -4.52284730 Sr 36.55604684 39.07636534 38.99475015 -16.52346457 27.12795572 -17.68436526 Sr 40.44932342 35.29377055 34.75670798 -14.92862231 -9.48036865 -17.09328148 Sr 41.59993901 35.82367011 36.05708906 5.26640282 -3.70287192 10.54610453 Sr 42.56413860 37.42957765 34.86420263 -10.14362409 -8.50353085 -16.52098621 Sr 43.67982227 38.56376137 35.39776591 21.81933373 15.67871976 3.65426366 Sr 42.81964364 35.29825864 37.98568119 -8.04679629 -24.72929505 -7.23334129 Sr 43.94092265 36.53116106 38.60556583 34.39505627 9.88345218 -12.63237745 Sr 39.85099073 37.67682157 37.44339995 6.83382468 0.22220545 -10.05051471 Sr 40.92663375 38.81896876 38.77269330 9.41527818 0.09432775 7.68255955 Sr 34.75331176 39.95945902 35.10549878 -7.57891327 -2.97055924 -4.49773291 Sr 36.64538495 41.18984438 36.24085714 -8.69151243 -4.64820138 5.32371084 Sr 37.15979603 42.23567833 34.69446895 0.32760038 8.24474254 -21.70603079 Sr 38.61643991 43.32327578 36.40123177 -24.59140815 27.17815409 -17.45527528 Sr 37.95366604 40.01182104 37.71888199 -6.27094617 -2.10575418 -9.66285914 Sr 39.18297782 40.79320854 38.72490762 15.39074928 5.21707119 2.71028038 Sr 35.30609528 43.05416537 37.63905551 -12.53040283 -4.66952823 -23.27420107 Sr 35.70018770 43.66349090 39.11824152 -0.40385435 19.35191987 18.34550274 Sr 40.38619242 40.56517890 34.70305829 -5.66282002 -6.00838420 -14.96051811 Sr 41.60365422 41.12475624 36.46651109 -5.65058055 6.79352943 -5.53570687 Sr 41.74642161 42.97130329 35.10350000 0.18025747 11.07146042 -12.40494913 Sr 43.97271432 43.46171569 36.17570050 8.03401259 4.87386279 -0.18678246 Sr 42.58087455 40.09122498 37.35935114 15.26917991 -16.91798152 10.25314063 Sr 43.97769358 41.58747479 38.54532507 14.83145131 -1.53978490 2.68492381 Sr 39.66448343 42.68403127 37.11226018 20.55627544 -7.91339610 11.79616220 Sr 40.97555741 43.31914392 38.89352680 -13.23104422 17.82615714 -7.65416360 Sr 35.05615299 35.04331559 39.53882749 -12.84597702 -10.88245166 -7.56188657 Sr 36.16081878 36.09305905 40.84266193 -0.95463006 1.90361029 6.10063012 Sr 37.00297454 37.99791377 39.62151619 10.81766212 -35.37830724 13.94405519 Sr 38.31926423 38.51894432 41.34725891 -3.49380751 -17.79979163 8.62026234 Sr 37.36225414 34.96989052 42.36669775 -3.42698190 -11.05431693 4.07648445 Sr 39.08450338 35.75571598 43.58475277 -1.80145841 -4.02229498 14.72956167 Sr 34.99655912 37.96978731 42.51668654 -19.10960173 -9.23845511 -5.79946942 Sr 36.22422232 38.91950201 43.54655608 -8.06484050 -6.45963161 25.25772211 Sr 39.48192516 35.00137669 39.91407359 1.98559686 -12.70404713 5.66849927 Sr 41.48837336 36.00831489 41.43404765 -8.28745182 10.57304321 -19.63646906 Sr 42.84911873 36.78781227 39.84703574 -10.33554735 4.98786028 11.18159814 Sr 43.60556472 38.49425818 41.03735392 9.77400204 7.10562314 4.25769267 Sr 42.20384740 34.85081933 42.03810700 17.17771059 -36.20140320 11.89191558 Sr 43.64763455 35.66870947 44.00814638 5.33895934 1.46711124 6.64267911 Sr 40.53706465 37.00409575 42.52115298 -7.18589861 15.20254878 9.85468167 Sr 40.94042883 39.08082366 43.80462855 3.02815415 -5.01758651 12.10937621 Sr 34.83286624 40.14296445 39.85110606 -17.57537106 3.12307498 2.28643470 Sr 36.38023300 41.87540587 40.86193449 -12.27721305 -5.53194843 11.82032745 Sr 37.82350393 42.21827495 39.80335328 0.07528487 -2.34890591 -18.51157053 Sr 38.63834321 43.28337470 40.87827378 8.45910092 26.29201620 13.29016735 Sr 37.36102597 39.94186987 42.87644269 5.62486138 17.05480399 -2.10657699 Sr 39.22390080 40.79357549 43.78505241 -1.55329536 6.12527946 15.89592921 Sr 34.62935593 42.56512338 42.32271401 -12.54849378 0.56772397 4.69313487 Sr 36.64289762 43.79540286 43.37563583 3.48475949 5.46672604 6.24703774 Sr 39.50493887 39.70919522 40.77010321 7.93117198 -1.33089986 -1.94579387 Sr 40.89974943 41.22892384 41.12165250 16.35596501 -14.97197683 -25.29839415 Sr 42.34497277 42.83847338 39.71375535 18.36317432 1.27191034 9.53939765 Sr 43.96837464 43.61049329 41.56091661 6.40154851 4.17176261 3.49063833 Sr 42.51989586 40.42044581 42.41663788 9.19879406 -3.53186518 -1.42165548 Sr 43.82327501 41.06132081 44.08965562 8.42219079 2.71770092 9.94030162 Sr 40.39757659 42.11536967 42.13716159 -9.02111347 27.73164941 27.01584730 Sr 41.35678677 44.06242240 43.78359587 0.60417305 5.26237481 4.50643632