{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.672014 0 ] [ 0.25 0.827986 0.5 ] [ 0.75 0.172014 0.5 ] [ 0.75 0.327986 0 ] [ 0.510388 0.710145 0.5 ] [ 0.75 0.448628 0.813353 ] [ 0.25 0.551372 0.813353 ] [ 0.989612 0.710145 0.5 ] [ 0.510388 0.789855 0 ] [ 0.75 0.051372 0.686647 ] [ 0.25 0.948628 0.686647 ] [ 0.989612 0.789855 0 ] [ 0.010388 0.210145 0 ] [ 0.25 0.948628 0.313353 ] [ 0.75 0.051372 0.313353 ] [ 0.489612 0.210145 0 ] [ 0.010388 0.289855 0.5 ] [ 0.25 0.551372 0.186647 ] [ 0.75 0.448628 0.186647 ] [ 0.489612 0.289855 0.5 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "As" "As" "As" "As" "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" 5.74207474 "source-unit" "angstrom" } "b" { "source-value" 7.46729226 "source-unit" "angstrom" } "c" { "source-value" 7.79082244 "source-unit" "angstrom" } }