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=499549.45465759974 stress="-25.89524549915812 5.964194400108837 -0.18706811810097196 5.964194400108837 -27.280048775371643 -1.2270182341664229 -0.18706811810097196 -1.2270182341664229 -29.011851827728893" free_energy=499549.45465759974 pbc="F F F" Tb 21.44796936 20.89022311 21.03266688 -29161.11204984 -27543.57008293 -43457.36971147 Tb 22.31727432 22.68240831 21.28369089 90150.86786856 -76483.76270713 -206523.78650151 Tb 22.39179870 21.01316614 22.69482349 48570.10236777 -132199.34034761 -100277.52456082 Tb 21.12854416 22.43455696 22.55806062 -148836.91577183 -14792.30812225 41898.71105849 Tb 24.28242914 21.18191582 21.09514274 -62537.71592922 -3931.15845338 -66632.34583859 Tb 25.67075861 22.68869181 21.14558284 59365.28962650 -91042.34500741 -80257.33864657 Tb 25.51256627 20.79052819 22.38088178 63449.74636790 -29384.21602780 51273.28004483 Tb 24.24396709 22.51862989 22.72676727 81574.58264097 56800.22451022 -149854.96319534 Tb 20.94454998 23.83877027 20.81237282 -50615.63361207 26689.99560552 -37401.75127496 Tb 22.61162743 25.68663937 21.28767684 53873.43767292 26176.60813881 -51748.87859644 Tb 22.78945842 23.54420745 22.70546252 -105515.36974247 110951.05640686 23318.53181234 Tb 21.20486581 25.14481365 22.31130253 -66171.74079776 25506.22563056 6586.86086185 Tb 24.16685639 23.90020232 20.80624904 -43120.57852131 16612.72298778 -40319.73813502 Tb 25.52924486 25.69388095 21.30354448 27558.73322707 30864.21427042 -42085.26784228 Tb 25.40765244 24.01751168 22.27992834 31255.91692745 79795.05294268 95533.51897225 Tb 24.21063884 25.77470707 22.72850138 -37991.34233313 32639.25543924 -34214.96483268 Tb 20.72067435 20.88615531 24.22401144 -55017.31650136 -71358.39796455 -18567.36121155 Tb 22.23176624 22.00431485 24.09995876 73677.34036357 138139.66060140 -33105.60258356 Tb 22.28516035 21.29841474 25.69829562 41432.31393648 -95274.75056820 146563.75072264 Tb 20.93351107 22.50148145 25.21557547 -116806.90767000 88616.28588508 85148.28431461 Tb 24.01545457 21.29725379 23.86748887 11485.02640835 -211143.21083254 108229.19752514 Tb 25.73195113 22.81854900 24.07458145 36242.23182283 -6684.31828999 4320.63096292 Tb 25.24156639 21.24612897 25.71106251 34560.71530775 -35283.09870725 19557.84577796 Tb 23.96748744 22.56289481 25.22440557 85176.27804634 -67446.29251801 39405.58819159 Tb 20.98862551 23.95714072 23.74391021 -23339.46393837 5610.30882320 57290.03010173 Tb 22.57768054 25.62291171 23.75564670 -24494.26503396 17532.07722566 28015.17645959 Tb 22.76808415 23.77736375 25.41967623 -138152.65574121 117206.58360547 54061.26382882 Tb 21.32958722 25.70530001 25.67684617 -3284.97997563 2092.86314576 3919.40603953 Tb 23.93827645 24.05222706 23.91510780 96511.88614921 66556.08704774 70511.73972023 Tb 25.60729311 25.45490921 23.89772133 61338.91119556 4225.15315738 35493.31574984 Tb 25.25645487 24.20110323 25.61185696 166462.86518335 -198079.48202435 19754.25186057 Tb 24.25746923 25.52998750 25.63873193 -157640.24749441 214631.87622962 13565.50892586