{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.003538 0 ] [ 0.5 0.503538 0 ] [ 0 0.616491 0.5 ] [ 0.5 0.116491 0.5 ] [ 0.849873 0.304985 0.5 ] [ 0.150127 0.304985 0.5 ] [ 0.349873 0.804985 0.5 ] [ 0.650127 0.804985 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Ni" "Ni" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.54800089093 "source-unit" "angstrom" } "b" { "source-value" 6.10444492375 "source-unit" "angstrom" } "c" { "source-value" 3.84029291 "source-unit" "angstrom" } }