{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.331863 0.75 ] [ 0 0.668137 0.25 ] [ 0.5 0.831863 0.75 ] [ 0.5 0.168137 0.25 ] [ 0.683102 0.942278 0.902529 ] [ 0.316898 0.942278 0.597471 ] [ 0.316898 0.057722 0.097471 ] [ 0.683102 0.057722 0.402529 ] [ 0 0.093561 0.25 ] [ 0 0.906439 0.75 ] [ 0.090399 0.223787 0.627675 ] [ 0.909601 0.223787 0.872325 ] [ 0.909601 0.776213 0.372325 ] [ 0.090399 0.776213 0.127675 ] [ 0.183102 0.442278 0.902529 ] [ 0.816898 0.442278 0.597471 ] [ 0.816898 0.557722 0.097471 ] [ 0.183102 0.557722 0.402529 ] [ 0.5 0.593561 0.25 ] [ 0.5 0.406439 0.75 ] [ 0.590399 0.723787 0.627675 ] [ 0.409601 0.723787 0.872325 ] [ 0.409601 0.276213 0.372325 ] [ 0.590399 0.276213 0.127675 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "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" 6.90034212 "source-unit" "angstrom" } "b" { "source-value" 8.18288687 "source-unit" "angstrom" } "c" { "source-value" 7.14300476 "source-unit" "angstrom" } "beta" { "source-value" 116.26016455 "source-unit" "degree" } }