{ "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 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.856724 0.728335 ] [ 0.25 0.643276 0.228335 ] [ 0.75 0.356724 0.771665 ] [ 0.25 0.143276 0.271665 ] [ 0.25 0.874941 0.626927 ] [ 0.75 0.625059 0.126927 ] [ 0.25 0.374941 0.873073 ] [ 0.75 0.125059 0.373073 ] [ 0.75 0.943816 0.482852 ] [ 0.25 0.895343 0.166325 ] [ 0.439571 0.869923 0.753866 ] [ 0.060429 0.869923 0.753866 ] [ 0.75 0.800648 0.003824 ] [ 0.25 0.699352 0.503824 ] [ 0.939571 0.630077 0.253866 ] [ 0.560429 0.630077 0.253866 ] [ 0.75 0.604657 0.666325 ] [ 0.25 0.556184 0.982852 ] [ 0.75 0.443816 0.017148 ] [ 0.25 0.395343 0.333675 ] [ 0.439571 0.369923 0.746134 ] [ 0.060429 0.369923 0.746134 ] [ 0.75 0.300648 0.496176 ] [ 0.25 0.199352 0.996176 ] [ 0.939571 0.130077 0.246134 ] [ 0.560429 0.130077 0.246134 ] [ 0.75 0.104657 0.833675 ] [ 0.25 0.056184 0.517148 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "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" 6.45769868 "source-unit" "angstrom" } "b" { "source-value" 7.14821081 "source-unit" "angstrom" } "c" { "source-value" 7.49504584 "source-unit" "angstrom" } }