{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.246069 ] [ 0.5 0 0.753931 ] [ 0 0.5 0.753931 ] [ 0 0.5 0.246069 ] [ 0.329536 0.829536 0.429076 ] [ 0.670464 0.170464 0.429076 ] [ 0.329536 0.170464 0.570924 ] [ 0.670464 0.829536 0.570924 ] [ 0.170464 0.670464 0.570924 ] [ 0.829536 0.329536 0.570924 ] [ 0.829536 0.670464 0.429076 ] [ 0.170464 0.329536 0.429076 ] [ 0.250358 0.750358 0.915991 ] [ 0.749642 0.249642 0.915991 ] [ 0.250358 0.249642 0.084009 ] [ 0.749642 0.750358 0.084009 ] [ 0.249642 0.749642 0.084009 ] [ 0.750358 0.250358 0.084009 ] [ 0.750358 0.749642 0.915991 ] [ 0.249642 0.250358 0.915991 ] [ 0.5 0.5 0.340909 ] [ 0.5 0.5 0.659091 ] [ 0 0 0.659091 ] [ 0 0 0.340909 ] [ 0.5 0.5 0.183727 ] [ 0.5 0.5 0.816273 ] [ 0 0 0.816273 ] [ 0 0 0.183727 ] [ 0.5 0 0 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" 6.03810909 "source-unit" "angstrom" } "c" { "source-value" 15.63967501 "source-unit" "angstrom" } }