{ "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" [ [ 0.473565 0.296587 0.11156 ] [ 0.973565 0.203413 0.88844 ] [ 0.026435 0.796587 0.38844 ] [ 0.526435 0.703413 0.61156 ] [ 0.526435 0.703413 0.88844 ] [ 0.026435 0.796587 0.11156 ] [ 0.973565 0.203413 0.61156 ] [ 0.473565 0.296587 0.38844 ] [ 0.470274 0.515172 0.25 ] [ 0.970274 0.984828 0.75 ] [ 0.029726 0.015172 0.25 ] [ 0.529726 0.484828 0.75 ] [ 0.273306 0.433195 0.124668 ] [ 0.773306 0.066805 0.875332 ] [ 0.226694 0.933195 0.375332 ] [ 0.726694 0.566805 0.624668 ] [ 0.726694 0.566805 0.875332 ] [ 0.226694 0.933195 0.124668 ] [ 0.773306 0.066805 0.624668 ] [ 0.273306 0.433195 0.375332 ] [ 0.605369 0.199652 0.100744 ] [ 0.105369 0.300348 0.899256 ] [ 0.894631 0.699652 0.399256 ] [ 0.394631 0.800348 0.600744 ] [ 0.394631 0.800348 0.899256 ] [ 0.894631 0.699652 0.100744 ] [ 0.105369 0.300348 0.600744 ] [ 0.605369 0.199652 0.399256 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.60895194 "source-unit" "angstrom" } "b" { "source-value" 10.25677947 "source-unit" "angstrom" } "c" { "source-value" 13.32080891 "source-unit" "angstrom" } }