{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.347387 0.5 ] [ 0.75 0.652613 0.5 ] [ 0.49502 0.600226 0.705547 ] [ 0.00498 0.600226 0.294453 ] [ 0.963893 0.840533 0.735831 ] [ 0.536107 0.840533 0.264169 ] [ 0.036107 0.159467 0.264169 ] [ 0.463893 0.159467 0.735831 ] [ 0.99502 0.399774 0.705547 ] [ 0.50498 0.399774 0.294453 ] ] } "species" { "source-value" [ "Hf" "Hf" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.32372402124 "source-unit" "angstrom" } "b" { "source-value" 7.94315894 "source-unit" "angstrom" } "c" { "source-value" 6.91605236728 "source-unit" "angstrom" } "beta" { "source-value" 107.929368235 "source-unit" "degree" } }