{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.060175 0.25 ] [ 0.5 0.939825 0.75 ] [ 0 0.560175 0.25 ] [ 0 0.439825 0.75 ] [ 0 0.154532 0.55499 ] [ 0 0.845468 0.44501 ] [ 0 0.154532 0.94501 ] [ 0 0.845468 0.05499 ] [ 0.5 0.654532 0.55499 ] [ 0.5 0.345468 0.44501 ] [ 0.5 0.654532 0.94501 ] [ 0.5 0.345468 0.05499 ] [ 0.5 0.225772 0.75 ] [ 0.5 0.774228 0.25 ] [ 0 0.725772 0.75 ] [ 0 0.274228 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18805693 "source-unit" "angstrom" } "b" { "source-value" 10.19359122 "source-unit" "angstrom" } "c" { "source-value" 8.3943845 "source-unit" "angstrom" } }