{ "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" [ [ 0.762404 0.495528 0.207063 ] [ 0.762404 0.004472 0.207063 ] [ 0.237596 0.504472 0.792937 ] [ 0.237596 0.995528 0.792937 ] [ 0.22526 0.25 0.343953 ] [ 0.77474 0.75 0.656047 ] [ 0.273828 0.25 0.077482 ] [ 0.726172 0.75 0.922518 ] [ 0.272192 0.75 0.426533 ] [ 0.727808 0.25 0.573467 ] [ 0.700737 0.75 0.066563 ] [ 0.044297 0.25 0.152983 ] [ 0.469969 0.25 0.189173 ] [ 0.206496 0.921826 0.340469 ] [ 0.206496 0.578174 0.340469 ] [ 0.862103 0.25 0.429594 ] [ 0.552944 0.75 0.463648 ] [ 0.447056 0.25 0.536352 ] [ 0.137897 0.75 0.570406 ] [ 0.793504 0.421826 0.659531 ] [ 0.793504 0.078174 0.659531 ] [ 0.530031 0.75 0.810827 ] [ 0.955703 0.75 0.847017 ] [ 0.299263 0.25 0.933437 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "B" "B" "S" "S" "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" 5.3040761 "source-unit" "angstrom" } "b" { "source-value" 7.06486461 "source-unit" "angstrom" } "c" { "source-value" 9.03296867 "source-unit" "angstrom" } "beta" { "source-value" 92.03188295 "source-unit" "degree" } }