32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=139.37299972276168 stress="-0.011204318095880602 0.00035654432459117044 -0.0003081723510811261 0.00035654432459117044 -0.011104508762878652 -0.0005182850267785887 -0.0003081723510811261 -0.0005182850267785887 -0.011654244462244867" free_energy=139.37299972276168 pbc="F F F" U 21.17089611 20.97011124 20.70220318 -10.04832560 -14.98203517 -3.66657030 U 22.34255886 22.66884527 21.06978448 39.43271329 -31.62099410 -9.15667707 U 23.17905146 20.84838096 22.83505355 -32.94033483 -20.34619355 -31.48017543 U 21.21211731 22.57468690 22.92094673 -48.12556654 -21.99431775 -51.73933614 U 24.40710459 20.99042854 20.85687199 -5.75967058 -11.44961465 -24.25055102 U 25.85164413 22.86622900 21.02201293 16.81883888 -18.76811018 -36.83131803 U 25.69134348 20.92534241 22.61066276 16.81185126 -7.89764419 10.09613301 U 24.06443107 22.63739173 22.34551529 3.75928845 8.41499799 9.17687058 U 21.19273990 24.05722932 20.76172667 -43.80996245 39.66070102 -17.02372694 U 22.67832204 25.75936473 21.23110688 -15.62220807 27.05790295 -5.31604948 U 22.62316022 24.20913913 22.82571341 32.32165387 3.21012351 -36.59867404 U 20.82858036 26.02220807 22.71442344 -9.57670951 14.39112844 -6.53887019 U 24.20706424 24.52559981 20.71321713 8.53428137 -16.81204841 -19.62250171 U 26.09236445 25.66104778 21.20384132 19.42136095 11.79231945 -13.71691370 U 25.66724623 23.98214964 22.62541025 20.87428962 10.73100488 25.37579121 U 24.50551247 25.72944624 22.65539967 -9.71739594 38.39517664 -10.12279125 U 21.06482696 20.84620060 24.26821382 -37.79861216 -22.63809037 -18.56363356 U 22.33075425 22.59463223 24.40586213 51.91419717 6.30451593 27.38694711 U 22.52895547 20.83226600 25.60549600 -4.89059231 -15.86104636 53.88449595 U 21.12036030 22.73114239 26.12343919 -15.01058525 2.60714400 19.42470029 U 24.14228048 20.76023492 24.49849743 49.05069389 -22.08646138 7.33179929 U 26.13411890 22.81519325 24.44877714 16.88440883 -32.67596900 -36.40941707 U 25.98381314 21.13250256 25.97531152 12.47371123 -13.46016016 9.63303703 U 24.30442580 22.47931870 25.65511711 -12.66079418 18.88908227 17.28821600 U 21.13572127 24.30791531 23.98387496 -55.45832322 18.85349205 45.03229699 U 22.71001927 25.94103388 24.25693356 -20.82309934 37.33100616 -26.49146707 U 22.79001753 24.47580078 25.80366320 -31.13124169 -57.37888500 24.84552369 U 21.18883157 25.87455875 25.91813966 -18.65444998 11.95484872 9.20497598 U 24.19832183 24.50980354 24.21667242 19.02322049 -38.74231300 10.37514446 U 26.14643892 25.77795338 24.35338854 11.98486286 15.40915417 -3.03693178 U 25.95188623 24.14766152 25.80018197 1.43351198 28.11184707 46.76171136 U 23.99663523 25.86202489 25.82357885 51.28898750 53.59943800 34.74796184