{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.981373 0.059677 0.75 ] [ 0.481373 0.440323 0.25 ] [ 0.518627 0.559677 0.75 ] [ 0.018627 0.940323 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.693759 0.30417 0.565105 ] [ 0.193759 0.19583 0.434895 ] [ 0.806241 0.80417 0.934895 ] [ 0.306241 0.69583 0.065105 ] [ 0.306241 0.69583 0.434895 ] [ 0.806241 0.80417 0.565105 ] [ 0.193759 0.19583 0.065105 ] [ 0.693759 0.30417 0.934895 ] [ 0.876081 0.551825 0.25 ] [ 0.376081 0.948175 0.75 ] [ 0.623919 0.051825 0.25 ] [ 0.123919 0.448175 0.75 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Sc" "Sc" "Sc" "Sc" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.51888427 "source-unit" "angstrom" } "b" { "source-value" 5.78558983 "source-unit" "angstrom" } "c" { "source-value" 8.02615821 "source-unit" "angstrom" } }