256 Lattice="26.881418728826766 0.0 0.0 0.0 26.881418728826766 0.0 0.0 0.0 26.881418728826766" Properties=species:S:1:pos:R:3:forces:R:3 energy=-273.24006025397523 stress="-0.00016939624458925072 -2.1010237068604497e-05 -1.1929853136186115e-06 -2.1010237068604497e-05 -0.00017852013993526652 -8.037310436904379e-06 -1.1929853136186115e-06 -8.037310436904379e-06 -0.00019959827517235235" free_energy=-273.24006025397523 pbc="F F F" Ba 0.00306154 0.03787137 0.00707388 -0.10532828 -0.10309489 -0.11035966 Ba 3.36276538 3.34147165 0.03242959 0.15238347 0.16706909 -0.25295204 Ba 3.33545587 0.06191524 3.30767772 0.13312956 -0.21554168 0.23628713 Ba 0.00364304 3.37192523 3.30767137 -0.19998296 0.14508897 0.22991937 Ba 6.70270150 0.03868600 0.04099241 0.03901481 -0.15986406 -0.13138129 Ba 10.04119261 3.33105885 0.04338534 0.04155994 0.17926063 -0.14375576 Ba 10.12382666 0.02842254 3.40627651 -0.07461861 -0.16339309 0.11313035 Ba 6.69759490 3.36036303 3.36878403 0.07276179 0.20035872 0.22864988 Ba 13.50194202 0.01296878 0.02277754 -0.05103981 -0.11826866 -0.15735730 Ba 16.82238991 3.39018222 0.02620102 -0.05822877 0.16032931 -0.17741612 Ba 16.76593650 0.00851370 3.30187670 0.04605214 -0.18341452 0.19650700 Ba 13.45511466 3.29376858 3.39087383 -0.01795891 0.30675871 0.14749972 Ba 20.21021533 0.05583548 0.02564474 -0.10990417 -0.14028556 -0.16190934 Ba 23.58707010 3.40817285 0.03774339 0.13461634 0.08868668 -0.13313859 Ba 23.50044334 0.01377386 3.35958061 0.13095178 -0.13409756 0.11957583 Ba 20.09833677 3.39423756 3.36151718 -0.10688701 0.10903535 0.21413421 Ba 0.03750415 6.68641751 0.01930909 -0.12810924 0.07106871 -0.13387507 Ba 3.41838813 10.07160640 0.02765846 0.08425442 -0.00888350 -0.14474296 Ba 3.39150908 6.69407345 3.31867219 0.15332539 0.06251112 0.25147262 Ba 0.04696762 10.10130940 3.42401345 -0.15569919 -0.05041528 0.07574058 Ba 6.71973987 6.76802577 0.00825853 0.05856930 -0.03898533 -0.11778164 Ba 10.01457858 10.13600757 0.04214539 0.08877794 -0.02007517 -0.11625733 Ba 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20.22295944 -0.04029950 -0.04522375 -0.30516043 Ba 10.11878015 16.79280742 20.17951461 -0.08078517 0.00411251 -0.17500766 Ba 10.03093215 13.39206964 23.46253995 0.08408193 0.00761007 0.15603278 Ba 6.69434898 16.75352902 23.54182963 0.05933569 0.02436436 0.11894652 Ba 13.49910348 13.49213109 20.19020408 -0.03046872 -0.13643667 -0.23417986 Ba 16.76359681 16.74836362 20.21771310 0.02322582 0.06669495 -0.31164113 Ba 16.82309400 13.47315272 23.56703338 -0.03171388 -0.05628527 0.11559674 Ba 13.38853978 16.85859829 23.46447665 0.02473318 -0.03596398 0.18074714 Ba 20.20703186 13.45063807 20.14986267 -0.22463303 -0.04812295 -0.20169968 Ba 23.47862342 16.79144037 20.22379672 0.20150826 -0.02389002 -0.20514726 Ba 23.45922764 13.51398469 23.55247302 0.12224211 -0.04324737 0.12997539 Ba 20.09859617 16.84797593 23.46584107 -0.10655130 -0.01161605 0.20392446 Ba 0.01839748 20.15792140 20.18513886 -0.21003220 -0.16571747 -0.14772191 Ba 3.29807521 23.45532026 20.19528651 0.21808301 0.23173827 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23.51556147 -0.08609674 0.13473377 0.15830885