16 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=22.679607423516053 stress="-0.0006782091861502454 5.392254976614538e-07 -0.00010523223668759404 5.392254976614538e-07 -0.0009768975682138432 -0.00012151220793698185 -0.00010523223668759404 -0.00012151220793698185 -0.0009538858576992524" free_energy=22.679607423516053 pbc="F F F" In 21.21434358 20.93673494 20.82910290 -0.33160535 -0.94939645 -4.42091886 In 22.45491083 22.34146038 22.66374685 3.79349883 4.18602613 -5.21533470 P 24.05525431 20.95673305 21.08442254 -11.95385884 -6.78825401 -5.10711400 P 25.45525223 22.39016040 22.33484343 7.70744949 2.54567912 5.33620776 P 20.74114677 23.92027601 21.25278033 2.74467565 -2.49861370 3.02813276 In 22.59200417 25.38382773 22.19787329 1.96130832 3.33924602 1.83998456 In 24.29489863 23.77649062 20.93351377 2.62886399 1.36645621 -2.00048790 P 25.36006663 25.77093457 22.28902040 -0.71551264 3.27850049 -8.12288890 In 20.73155877 20.92113482 23.96546885 -4.99425182 -4.58392306 1.20724131 In 22.38477302 22.56194135 25.37455773 7.06938205 2.44328357 7.94479928 In 23.90855725 20.91788704 23.81157015 9.28350837 -2.03699412 0.54261398 P 25.55114214 22.54997140 25.46055881 2.31542722 -10.52585709 5.79947320 In 20.91062519 23.87728820 24.21640992 -5.86237275 6.18115193 -1.77476648 P 22.22950407 25.03251827 25.73232047 -7.40982958 1.53607784 4.51392745 P 24.14379487 24.24140249 24.23672153 -17.80560114 -9.16125410 -12.85678359 P 25.74741067 25.60895215 25.25381041 11.56891821 11.66787123 9.28591410