{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.331964 0.75 ] [ 0 0.668036 0.25 ] [ 0.5 0.831964 0.75 ] [ 0.5 0.168036 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.68302 0.75 ] [ 0 0.31698 0.25 ] [ 0.5 0.18302 0.75 ] [ 0.5 0.81698 0.25 ] [ 0.09221 0.209517 0.121088 ] [ 0.90779 0.209517 0.378912 ] [ 0.308153 0.929973 0.100434 ] [ 0.691847 0.929973 0.399566 ] [ 0.691847 0.070027 0.899566 ] [ 0.308153 0.070027 0.600434 ] [ 0.90779 0.790483 0.878912 ] [ 0.09221 0.790483 0.621088 ] [ 0.59221 0.709517 0.121088 ] [ 0.40779 0.709517 0.378912 ] [ 0.808153 0.429973 0.100434 ] [ 0.191847 0.429973 0.399566 ] [ 0.191847 0.570027 0.899566 ] [ 0.808153 0.570027 0.600434 ] [ 0.40779 0.290483 0.878912 ] [ 0.59221 0.290483 0.621088 ] [ 0 0.930468 0.25 ] [ 0 0.069532 0.75 ] [ 0.5 0.430468 0.25 ] [ 0.5 0.569532 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.50893233 "source-unit" "angstrom" } "b" { "source-value" 8.31280004 "source-unit" "angstrom" } "c" { "source-value" 6.99412688 "source-unit" "angstrom" } "beta" { "source-value" 115.69884484 "source-unit" "degree" } }