32 Lattice="6.221810742108614 0.0 0.0 0.0 6.221810742108614 0.0 0.0 0.0 6.221810742108614" Properties=species:S:1:pos:R:3:forces:R:3 energy=11264.718435418868 stress="-190.97020238549175 2.382255657299031 1.6813946383111624 2.382255657299031 -187.80616584437587 3.0673852666232557 1.6813946383111624 3.0673852666232557 -191.057282691014" free_energy=11264.718435418868 pbc="F F F" Xe 0.00611526 0.00739124 0.03132830 -1041.63406406 -1028.04697323 -600.17287919 Xe 1.49518651 1.48009962 0.01475338 704.75562938 431.60479821 -1618.78629308 Xe 1.59742493 0.00686331 1.59114798 -620.22851264 -1550.31279842 -312.10774322 Xe 0.02018300 1.65025161 1.54850389 -1593.41217283 -619.53643988 507.34827766 Xe 3.17280470 0.01986394 0.03242313 -250.20444057 -1440.10379498 -1533.55248149 Xe 4.70053932 1.55128715 0.04464499 1399.38600520 123.85461105 -1301.21393737 Xe 4.63046587 0.01710833 1.60878450 1694.35168843 -1502.08978685 -117.28747769 Xe 3.13320975 1.52658354 1.50334585 -594.60362863 657.41969131 403.56223369 Xe 0.00567653 3.05162761 0.00074996 -994.82089794 636.34083255 -1357.25177106 Xe 1.60096307 4.69237350 0.01564645 -135.99209006 1013.90681582 -1412.47238684 Xe 1.60512035 3.15315295 1.55781710 -460.90195359 -538.47158764 -395.13115315 Xe 0.03435983 4.72412324 1.49965729 -1107.99600547 905.33013622 181.66447970 Xe 3.10804306 3.08413427 0.00546851 77.61927853 67.25369400 -1489.73006363 Xe 4.67424191 4.64564655 0.00222777 639.10996806 638.05809321 -592.78655906 Xe 4.68852561 3.08763144 1.60755597 1351.36854665 674.60566762 -619.93288055 Xe 3.07625055 4.71266934 1.57995479 703.32036430 1488.22586234 -373.93563295 Xe 0.02602920 0.03717618 3.13978851 -1679.92064772 -1387.53229330 -662.97490279 Xe 1.50207369 1.56040572 3.15155310 719.23130698 469.67791516 -387.20091479 Xe 1.51543052 0.02023952 4.61014607 649.77245901 -1586.93033846 1607.72861028 Xe 0.01517911 1.50447052 4.69402163 -1393.70867189 652.80470920 1379.09806511 Xe 3.08286140 0.01746514 3.05196961 217.85372687 -1488.24294116 782.89506876 Xe 4.64411508 1.60880372 3.05375826 1583.76245090 -423.80335998 818.93912133 Xe 4.64703325 0.02583265 4.66907355 1017.97157158 -994.36364896 550.84110803 Xe 3.16473301 1.49776517 4.67405711 -466.25419517 503.78290159 1316.36275723 Xe 0.05238428 3.14791793 3.13314955 -1645.05545938 46.41055609 57.52402436 Xe 1.60919664 4.62687045 3.09870839 -505.10738323 1955.57088562 513.25854553 Xe 1.61577471 3.13817205 4.72275229 -53.38071719 -224.50290363 1433.36265576 Xe 0.01463775 4.66499790 4.69961201 -632.85526476 761.24286309 687.60711673 Xe 3.07622850 3.10049693 3.07458558 293.92770637 -318.10755313 540.40022500 Xe 4.60460294 4.65042746 3.13731501 1384.20568026 1297.15928326 -294.46063203 Xe 4.64591670 3.15679797 4.68143284 1058.58322934 -338.28432324 1103.15916143 Xe 3.15150891 4.72289230 4.68348112 -319.14350672 1117.07942651 1185.24625831