{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.612309 0.33336 ] [ 0.75 0.387691 0.66664 ] [ 0.75 0.612309 0.16664 ] [ 0.25 0.387691 0.83336 ] [ 0.75 0.158476 0.99019 ] [ 0.75 0.841524 0.49019 ] [ 0.25 0.158476 0.50981 ] [ 0.25 0.841524 0.00981 ] [ 0 0.094593 0.25 ] [ 0 0.905407 0.75 ] [ 0.5 0.905407 0.75 ] [ 0.5 0.094593 0.25 ] [ 0.25 0.660497 0.606138 ] [ 0.75 0.339503 0.393862 ] [ 0.75 0.660497 0.893862 ] [ 0.25 0.339503 0.106138 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.66790365 "source-unit" "angstrom" } "b" { "source-value" 6.88329069 "source-unit" "angstrom" } "c" { "source-value" 13.5956326 "source-unit" "angstrom" } }