32 Lattice="78.88200569152832 0.0 0.0 0.0 78.88200569152832 0.0 0.0 0.0 78.88200569152832" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.489684303454465 stress="-4.9109353428187975e-06 5.050205056567835e-07 -9.03909509942577e-07 5.050205056567835e-07 -5.598445938380753e-06 -1.3806578574255863e-06 -9.03909509942577e-07 -1.3806578574255863e-06 -5.9300408606470175e-06" free_energy=-1.489684303454465 pbc="F F F" Kr 39.34858359 39.53363184 39.53304380 -0.02389035 -0.03277804 -0.05218502 Kr 42.43288542 42.10107942 39.32793995 -0.03732611 0.08973109 -0.00671374 Kr 42.08179729 39.55254120 42.18598723 0.05516015 -0.08009525 -0.00152915 Kr 39.30473881 42.27387471 42.11517110 -0.02230126 0.04907085 0.02115942 Kr 44.97276020 39.40679301 39.39854474 0.03628042 -0.04764083 0.00848506 Kr 47.93179264 42.01543353 39.49617296 0.00814181 0.04764073 -0.03067097 Kr 47.71600147 39.62664521 42.41308714 0.05387121 -0.20715604 -0.17148706 Kr 45.22845524 42.42140000 42.38059241 -0.11359506 -0.05784157 -0.03323310 Kr 39.41852254 45.22231710 39.31935683 0.00476419 -0.04509581 -0.03324215 Kr 42.43318684 47.88603906 39.56850477 -0.05143392 0.03359860 -0.07874478 Kr 42.20766302 45.04022065 42.19031865 0.03056154 -0.04796208 -0.02061895 Kr 39.40419354 47.79952700 42.06689736 -0.01119003 0.06177620 0.02681557 Kr 45.23525365 45.22456114 39.68384344 -0.09114566 -0.10309282 -0.19463318 Kr 47.99645091 47.91975949 39.55231975 0.01328689 0.03253503 -0.01095530 Kr 47.71007319 45.16384261 42.22991731 0.18944916 -0.06505325 0.04594204 Kr 44.91374870 47.74395963 42.26956399 0.04390085 0.13478105 0.07843351 Kr 39.31765872 39.50548336 45.12818121 -0.04812978 -0.06080790 -0.06568553 Kr 42.10437406 42.07360782 44.83673028 0.05459806 0.09493211 0.07682401 Kr 42.12594083 39.30884201 47.73988079 0.02411080 -0.03473346 0.01645525 Kr 39.37491115 42.04485522 47.84741964 -0.00350522 0.07483554 0.03510763 Kr 45.30226484 39.47787105 45.18487282 -0.12051230 -0.04279316 -0.00439483 Kr 48.10913522 42.02982161 44.89630461 0.05574309 0.20926234 0.14575302 Kr 47.92496771 39.65408148 47.88995643 0.03122019 -0.01668827 0.05206316 Kr 44.77743927 42.10863975 47.92869077 0.00964551 0.06373941 0.00333884 Kr 39.63409906 45.22701788 44.85237064 -0.06786490 -0.07156955 0.03980069 Kr 42.43504444 47.83002443 45.18368737 -0.03156055 0.07508674 -0.08212464 Kr 42.07672109 45.31108347 47.94439631 0.09098464 -0.22046402 0.04061351 Kr 39.55236000 47.74850416 47.72032006 -0.14457040 0.14013644 0.02816533 Kr 45.11586910 45.12104432 45.00510739 -0.05937796 -0.06445070 0.03999593 Kr 47.95531037 47.81331326 44.76647286 0.01501263 0.06977201 0.05305265 Kr 47.72488803 45.16744746 47.69877640 0.06112192 -0.05572581 0.03071884 Kr 44.93821053 47.67721827 47.96440971 0.04855046 0.07705040 0.04349395