{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.257933 ] [ 0 0 0.757933 ] [ 0.666667 0.333333 0.591266 ] [ 0.666667 0.333333 0.091266 ] [ 0.333333 0.666667 0.9246 ] [ 0.333333 0.666667 0.4246 ] [ 0 0 0.997781 ] [ 0 0 0.497781 ] [ 0.666667 0.333333 0.331114 ] [ 0.666667 0.333333 0.831114 ] [ 0.333333 0.666667 0.664448 ] [ 0.333333 0.666667 0.164448 ] [ 0.940908 0.677633 0.908669 ] [ 0.6557 0.725759 0.075335 ] [ 0.274241 0.929941 0.075335 ] [ 0.736726 0.059092 0.908669 ] [ 0.322367 0.263274 0.908669 ] [ 0.070059 0.3443 0.075335 ] [ 0.607575 0.010967 0.242002 ] [ 0.322367 0.059092 0.408669 ] [ 0.940908 0.263274 0.408669 ] [ 0.403392 0.392425 0.242002 ] [ 0.989033 0.596608 0.242002 ] [ 0.736726 0.677633 0.408669 ] [ 0.274241 0.3443 0.575335 ] [ 0.989033 0.392425 0.742002 ] [ 0.607575 0.596608 0.742002 ] [ 0.070059 0.725759 0.575335 ] [ 0.6557 0.929941 0.575335 ] [ 0.403392 0.010967 0.742002 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "O" "O" "O" "O" "O" "O" "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" 5.93082714 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }