{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.992655 0.941687 0.75 ] [ 0.507345 0.441687 0.75 ] [ 0.492655 0.558313 0.25 ] [ 0.007345 0.058313 0.25 ] [ 0.111708 0.436582 0.25 ] [ 0.168404 0.174769 0.553965 ] [ 0.168404 0.174769 0.946035 ] [ 0.331596 0.674769 0.946035 ] [ 0.331596 0.674769 0.553965 ] [ 0.388292 0.936582 0.25 ] [ 0.611708 0.063418 0.75 ] [ 0.668404 0.325231 0.446035 ] [ 0.668404 0.325231 0.053965 ] [ 0.831596 0.825231 0.053965 ] [ 0.831596 0.825231 0.446035 ] [ 0.888292 0.563418 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "V" "V" "V" "V" "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" 5.06389034 "source-unit" "angstrom" } "b" { "source-value" 5.23768514 "source-unit" "angstrom" } "c" { "source-value" 6.9758606 "source-unit" "angstrom" } }