{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.949559 ] [ 0.5 0.25 0.050441 ] [ 0 0.25 0.449559 ] [ 0 0.75 0.550441 ] [ 0.5 0.046302 0.661342 ] [ 0.5 0.953698 0.338658 ] [ 0 0.953698 0.161342 ] [ 0 0.046302 0.838658 ] [ 0 0.546302 0.161342 ] [ 0 0.453698 0.838658 ] [ 0.5 0.453698 0.661342 ] [ 0.5 0.546302 0.338658 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "In" "In" "In" "In" "In" "In" "In" "In" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.87265314071 "source-unit" "angstrom" } "b" { "source-value" 7.67324307664 "source-unit" "angstrom" } "c" { "source-value" 9.23341182863 "source-unit" "angstrom" } }