{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.962259 0.040436 0.25 ] [ 0.462259 0.459564 0.75 ] [ 0.537741 0.540436 0.25 ] [ 0.037741 0.959564 0.75 ] [ 0.168824 0.055736 0.116407 ] [ 0.168824 0.055736 0.383593 ] [ 0.718481 0.271692 0.25 ] [ 0.218481 0.228308 0.75 ] [ 0.668824 0.444264 0.616407 ] [ 0.668824 0.444264 0.883593 ] [ 0.331176 0.555736 0.116407 ] [ 0.331176 0.555736 0.383593 ] [ 0.781519 0.771692 0.25 ] [ 0.281519 0.728308 0.75 ] [ 0.831176 0.944264 0.883593 ] [ 0.831176 0.944264 0.616407 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "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" 4.56978666 "source-unit" "angstrom" } "b" { "source-value" 5.8516189 "source-unit" "angstrom" } "c" { "source-value" 9.57146402 "source-unit" "angstrom" } }