{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.451138 0.769766 0.38862 ] [ 0.048862 0.269766 0.61138 ] [ 0.548862 0.230234 0.61138 ] [ 0.951138 0.730234 0.38862 ] [ 0.239785 0.44287 0.476457 ] [ 0.260215 0.94287 0.523543 ] [ 0.760215 0.55713 0.523543 ] [ 0.739785 0.05713 0.476457 ] [ 0.317178 0.959082 0.015413 ] [ 0.182822 0.459082 0.984587 ] [ 0.682822 0.040918 0.984587 ] [ 0.817178 0.540918 0.015413 ] [ 0.414234 0.582031 0.817218 ] [ 0.085766 0.082031 0.182782 ] [ 0.585766 0.417969 0.182782 ] [ 0.914234 0.917969 0.817218 ] [ 0.351657 0.153206 0.792393 ] [ 0.148343 0.653206 0.207607 ] [ 0.648343 0.846794 0.207607 ] [ 0.851657 0.346794 0.792393 ] [ 0.581157 0.753022 0.685064 ] [ 0.918843 0.253022 0.314936 ] [ 0.418843 0.246978 0.314936 ] [ 0.081157 0.746978 0.685064 ] [ 0.164922 0.648119 0.633132 ] [ 0.335078 0.148119 0.366868 ] [ 0.835078 0.351881 0.366868 ] [ 0.664922 0.851881 0.633132 ] [ 0.229355 0.756213 0.150532 ] [ 0.270645 0.256213 0.849468 ] [ 0.770645 0.243787 0.849468 ] [ 0.729355 0.743787 0.150532 ] [ 0.90225 0.876034 0.025102 ] [ 0.59775 0.376034 0.974898 ] [ 0.09775 0.123966 0.974898 ] [ 0.40225 0.623966 0.025102 ] [ 0.866906 0.252908 0.684824 ] [ 0.633094 0.752908 0.315176 ] [ 0.133094 0.747092 0.315176 ] [ 0.366906 0.247092 0.684824 ] [ 0.632507 0.73695 0.833285 ] [ 0.867493 0.23695 0.166715 ] [ 0.367493 0.26305 0.166715 ] [ 0.132507 0.76305 0.833285 ] [ 0.913631 0.541576 0.851232 ] [ 0.586369 0.041576 0.148768 ] [ 0.086369 0.458424 0.148768 ] [ 0.413631 0.958424 0.851232 ] [ 0.944669 0.831481 0.602278 ] [ 0.555331 0.331481 0.397722 ] [ 0.055331 0.168519 0.397722 ] [ 0.444669 0.668519 0.602278 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3569813047 "source-unit" "angstrom" } "b" { "source-value" 6.29598886 "source-unit" "angstrom" } "c" { "source-value" 10.6789963613 "source-unit" "angstrom" } "beta" { "source-value" 117.740538113 "source-unit" "degree" } }