{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.01805 0.75 0.722104 ] [ 0.48195 0.75 0.222104 ] [ 0.98195 0.25 0.277896 ] [ 0.51805 0.25 0.777896 ] [ 0.578149 0.75 0.907308 ] [ 0.921851 0.75 0.407308 ] [ 0.421851 0.25 0.092692 ] [ 0.078149 0.25 0.592692 ] [ 0.74696 0.25 0.093447 ] [ 0.211925 0.45113 0.663264 ] [ 0.711925 0.54887 0.836736 ] [ 0.788075 0.95113 0.336736 ] [ 0.288075 0.04887 0.163264 ] [ 0.788075 0.54887 0.336736 ] [ 0.288075 0.45113 0.163264 ] [ 0.211925 0.04887 0.663264 ] [ 0.25304 0.75 0.906553 ] [ 0.75304 0.25 0.593447 ] [ 0.711925 0.95113 0.836736 ] [ 0.24696 0.75 0.406553 ] [ 0.704464 0.75 0.041455 ] [ 0.295536 0.25 0.958545 ] [ 0.204464 0.25 0.458545 ] [ 0.795536 0.75 0.541455 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "P" "P" "P" "P" "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" 4.72382727 "source-unit" "angstrom" } "b" { "source-value" 6.12463974 "source-unit" "angstrom" } "c" { "source-value" 10.67592343 "source-unit" "angstrom" } }