{ "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 0.894126 0.25 ] [ 0 0.105874 0.75 ] [ 0.5 0.394126 0.25 ] [ 0.5 0.605874 0.75 ] [ 0.5 0.750588 0.25 ] [ 0.5 0.249412 0.75 ] [ 0.5 0.960274 0.75 ] [ 0.5 0.039726 0.25 ] [ 0 0.250588 0.25 ] [ 0 0.749412 0.75 ] [ 0 0.460274 0.75 ] [ 0 0.539726 0.25 ] [ 0.5 0.822743 0.75 ] [ 0.5 0.177257 0.25 ] [ 0 0.322743 0.75 ] [ 0 0.677257 0.25 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 3.97533879111 "source-unit" "angstrom" } "b" { "source-value" 16.4557093264 "source-unit" "angstrom" } "c" { "source-value" 3.97516545 "source-unit" "angstrom" } }