{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.933674 0.700925 0.044908 ] [ 0.364908 0.57382 0.75 ] [ 0.864908 0.92618 0.75 ] [ 0.135092 0.07382 0.25 ] [ 0.933674 0.700925 0.455092 ] [ 0.066326 0.299075 0.955092 ] [ 0.566326 0.200925 0.955092 ] [ 0.433674 0.799075 0.455092 ] [ 0.433674 0.799075 0.044908 ] [ 0.066326 0.299075 0.544908 ] [ 0.566326 0.200925 0.544908 ] [ 0.635092 0.42618 0.25 ] [ 0.720954 0.980445 0.25 ] [ 0.279046 0.019555 0.75 ] [ 0.779046 0.480445 0.75 ] [ 0.220954 0.519555 0.25 ] [ 0.842685 0.03224 0.419153 ] [ 0.157315 0.96776 0.919153 ] [ 0.657315 0.53224 0.919153 ] [ 0.342685 0.46776 0.419153 ] [ 0.513018 0.092695 0.25 ] [ 0.486982 0.907305 0.75 ] [ 0.986982 0.592695 0.75 ] [ 0.013018 0.407305 0.25 ] [ 0.842685 0.03224 0.080847 ] [ 0.157315 0.96776 0.580847 ] [ 0.657315 0.53224 0.580847 ] [ 0.342685 0.46776 0.080847 ] [ 0.679745 0.755522 0.25 ] [ 0.179745 0.744478 0.25 ] [ 0.820255 0.255522 0.75 ] [ 0.320255 0.244478 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.25380002 "source-unit" "angstrom" } "b" { "source-value" 9.62351332 "source-unit" "angstrom" } "c" { "source-value" 10.72065567 "source-unit" "angstrom" } }