{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.174291 0.914834 ] [ 0.25 0.325709 0.414834 ] [ 0.75 0.825709 0.085166 ] [ 0.75 0.674291 0.585166 ] [ 0.25 0.820033 0.835657 ] [ 0.75 0.179967 0.164343 ] [ 0.25 0.679967 0.335657 ] [ 0.75 0.320033 0.664343 ] [ 0.75 0.000069 0.379671 ] [ 0.75 0.499931 0.879671 ] [ 0.25 0.999931 0.620329 ] [ 0.25 0.500069 0.120329 ] [ 0.75 0.139672 0.643599 ] [ 0.25 0.098132 0.457547 ] [ 0.75 0.360328 0.143599 ] [ 0.75 0.144898 0.026889 ] [ 0.75 0.004683 0.19921 ] [ 0.75 0.286632 0.807243 ] [ 0.25 0.860328 0.356401 ] [ 0.75 0.901868 0.542453 ] [ 0.25 0.639672 0.856401 ] [ 0.75 0.813611 0.833853 ] [ 0.75 0.355102 0.526889 ] [ 0.75 0.686389 0.333853 ] [ 0.25 0.186389 0.166147 ] [ 0.25 0.786632 0.692757 ] [ 0.25 0.644898 0.473111 ] [ 0.75 0.598132 0.042453 ] [ 0.25 0.401868 0.957547 ] [ 0.25 0.995317 0.80079 ] [ 0.25 0.713368 0.192757 ] [ 0.75 0.495317 0.69921 ] [ 0.25 0.313611 0.666147 ] [ 0.25 0.504683 0.30079 ] [ 0.25 0.855102 0.973111 ] [ 0.75 0.213368 0.307243 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Cd" "Cd" "Cd" "Cd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 3.69908561 "source-unit" "angstrom" } "b" { "source-value" 10.11562123 "source-unit" "angstrom" } "c" { "source-value" 12.69617663 "source-unit" "angstrom" } }