{ "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" [ [ 0.435607 0.75 0.212042 ] [ 0.564393 0.25 0.787958 ] [ 0.891878 0.25 0.293434 ] [ 0.108122 0.75 0.706566 ] [ 0.409424 0.25 0.100157 ] [ 0.930744 0.75 0.399259 ] [ 0.069256 0.25 0.600741 ] [ 0.590576 0.75 0.899843 ] [ 0.650344 0.75 0.055749 ] [ 0.722039 0.25 0.121876 ] [ 0.277095 0.045526 0.167353 ] [ 0.277095 0.454474 0.167353 ] [ 0.770255 0.947129 0.32698 ] [ 0.770255 0.552871 0.32698 ] [ 0.23329 0.75 0.37695 ] [ 0.123579 0.25 0.44651 ] [ 0.876421 0.75 0.55349 ] [ 0.76671 0.25 0.62305 ] [ 0.229745 0.052871 0.67302 ] [ 0.229745 0.447129 0.67302 ] [ 0.722905 0.545526 0.832647 ] [ 0.722905 0.954474 0.832647 ] [ 0.277961 0.75 0.878124 ] [ 0.349656 0.25 0.944251 ] ] } "species" { "source-value" [ "Mn" "Mn" "Cu" "Cu" "P" "P" "P" "P" "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" 4.94740582 "source-unit" "angstrom" } "b" { "source-value" 5.97247732 "source-unit" "angstrom" } "c" { "source-value" 9.7692745 "source-unit" "angstrom" } "beta" { "source-value" 92.11977688 "source-unit" "degree" } }