{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.009915 0.947056 0.75 ] [ 0.990085 0.052944 0.25 ] [ 0.509915 0.552944 0.25 ] [ 0.490085 0.447056 0.75 ] [ 0.908435 0.526378 0.75 ] [ 0.408435 0.973622 0.25 ] [ 0.091565 0.473622 0.25 ] [ 0.591565 0.026378 0.75 ] [ 0.801808 0.798081 0.45567 ] [ 0.698192 0.298081 0.04433 ] [ 0.698192 0.298081 0.45567 ] [ 0.301808 0.701919 0.54433 ] [ 0.801808 0.798081 0.04433 ] [ 0.198192 0.201919 0.54433 ] [ 0.198192 0.201919 0.95567 ] [ 0.301808 0.701919 0.95567 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Bi" "Bi" "Bi" "Bi" "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" 5.46381369007 "source-unit" "angstrom" } "b" { "source-value" 5.67445166 "source-unit" "angstrom" } "c" { "source-value" 7.8354207501 "source-unit" "angstrom" } }