{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.336215 0.25 0.669843 ] [ 0.663785 0.75 0.330157 ] [ 0.865455 0.25 0.141914 ] [ 0.856895 0.25 0.711227 ] [ 0.275486 0.25 0.134761 ] [ 0.134545 0.75 0.858086 ] [ 0.143105 0.75 0.288773 ] [ 0.724514 0.75 0.865239 ] [ 0.911419 0.25 0.307122 ] [ 0.688543 0.25 0.600259 ] [ 0.394452 0.25 0.085776 ] [ 0.088581 0.75 0.692878 ] [ 0.311457 0.75 0.399741 ] [ 0.605548 0.75 0.914224 ] ] } "species" { "source-value" [ "Nd" "Nd" "H" "H" "H" "H" "H" "H" "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" 6.52641588413 "source-unit" "angstrom" } "b" { "source-value" 3.71697036 "source-unit" "angstrom" } "c" { "source-value" 6.5727006138 "source-unit" "angstrom" } "beta" { "source-value" 119.334554064 "source-unit" "degree" } }