{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.626227 0.75 0.931443 ] [ 0.126227 0.25 0.568557 ] [ 0.373773 0.25 0.068557 ] [ 0.873773 0.75 0.431443 ] [ 0.175411 0.991915 0.855962 ] [ 0.675411 0.008085 0.644038 ] [ 0.824589 0.491915 0.144038 ] [ 0.324589 0.508085 0.355962 ] [ 0.824589 0.008085 0.144038 ] [ 0.324589 0.991915 0.355962 ] [ 0.175411 0.508085 0.855962 ] [ 0.675411 0.491915 0.644038 ] [ 0.285598 0.75 0.616935 ] [ 0.785598 0.25 0.883065 ] [ 0.714402 0.25 0.383065 ] [ 0.214402 0.75 0.116935 ] [ 0.447213 0.75 0.520576 ] [ 0.947213 0.25 0.979424 ] [ 0.552787 0.25 0.479424 ] [ 0.052787 0.75 0.020576 ] [ 0.406983 0.75 0.727008 ] [ 0.906983 0.25 0.772992 ] [ 0.593017 0.25 0.272992 ] [ 0.093017 0.75 0.227008 ] [ 0.147784 0.892856 0.608688 ] [ 0.647784 0.107144 0.891312 ] [ 0.852216 0.392856 0.391312 ] [ 0.352216 0.607144 0.108688 ] [ 0.852216 0.107144 0.391312 ] [ 0.352216 0.892856 0.108688 ] [ 0.147784 0.607144 0.608688 ] [ 0.647784 0.392856 0.891312 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "N" "N" "N" "N" "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" 5.76886199 "source-unit" "angstrom" } "b" { "source-value" 8.06607703 "source-unit" "angstrom" } "c" { "source-value" 11.04817286 "source-unit" "angstrom" } }