{ "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 0.3868 0.679726 ] [ 0.75 0.6132 0.320274 ] [ 0.75 0.8868 0.820274 ] [ 0.25 0.1132 0.179726 ] [ 0.25 0.883249 0.533326 ] [ 0.75 0.116751 0.466674 ] [ 0.75 0.383249 0.966674 ] [ 0.25 0.616751 0.033326 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.00704315 "source-unit" "angstrom" } "b" { "source-value" 6.0521353 "source-unit" "angstrom" } "c" { "source-value" 8.45546334 "source-unit" "angstrom" } }