{ "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" [ [ 0.016985 0.946038 0.75 ] [ 0.483015 0.446038 0.75 ] [ 0.516985 0.553962 0.25 ] [ 0.983015 0.053962 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.164155 0.398151 0.25 ] [ 0.196736 0.199161 0.595315 ] [ 0.196736 0.199161 0.904685 ] [ 0.303264 0.699161 0.595315 ] [ 0.303264 0.699161 0.904685 ] [ 0.335845 0.898151 0.25 ] [ 0.664155 0.101849 0.75 ] [ 0.696736 0.300839 0.404685 ] [ 0.696736 0.300839 0.095315 ] [ 0.803264 0.800839 0.095315 ] [ 0.803264 0.800839 0.404685 ] [ 0.835845 0.601849 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pr" "Pr" "Pr" "Pr" "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" 6.10519995 "source-unit" "angstrom" } "b" { "source-value" 6.32241465 "source-unit" "angstrom" } "c" { "source-value" 8.44626508 "source-unit" "angstrom" } }