{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.778862 0.25 0.905857 ] [ 0.249492 0.020016 0.724755 ] [ 0.249492 0.479984 0.724755 ] [ 0.750508 0.979984 0.275245 ] [ 0.750508 0.520016 0.275245 ] [ 0.221138 0.75 0.094143 ] [ 0.740734 0.75 0.657618 ] [ 0.259266 0.25 0.342382 ] [ 0.711834 0.25 0.595094 ] [ 0.288166 0.75 0.404906 ] [ 0.680944 0.75 0.961958 ] [ 0.319056 0.25 0.038042 ] [ 0.900212 0.75 0.923259 ] [ 0.355999 0.25 0.904877 ] [ 0.491882 0.75 0.861357 ] [ 0.824081 0.079378 0.680906 ] [ 0.824081 0.420622 0.680906 ] [ 0.42816 0.25 0.59783 ] [ 0.238648 0.75 0.565044 ] [ 0.761352 0.25 0.434956 ] [ 0.57184 0.75 0.40217 ] [ 0.175919 0.579378 0.319094 ] [ 0.175919 0.920622 0.319094 ] [ 0.508118 0.25 0.138643 ] [ 0.644001 0.75 0.095123 ] [ 0.099788 0.25 0.076741 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "P" "P" "C" "C" "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" 5.49610722 "source-unit" "angstrom" } "b" { "source-value" 7.26567549 "source-unit" "angstrom" } "c" { "source-value" 9.39423979 "source-unit" "angstrom" } "beta" { "source-value" 96.37724301 "source-unit" "degree" } }