{ "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" [ [ 0.238155 0.75 0.076447 ] [ 0.745952 0.99629 0.251083 ] [ 0.745952 0.50371 0.251083 ] [ 0.254048 0.49629 0.748917 ] [ 0.254048 0.00371 0.748917 ] [ 0.761845 0.25 0.923553 ] [ 0.214287 0.25 0.330866 ] [ 0.785713 0.75 0.669134 ] [ 0.271589 0.25 0.064585 ] [ 0.728411 0.75 0.935415 ] [ 0.286216 0.75 0.418206 ] [ 0.713784 0.25 0.581794 ] [ 0.698679 0.75 0.08382 ] [ 0.03546 0.25 0.133946 ] [ 0.470273 0.25 0.173247 ] [ 0.221074 0.938068 0.30802 ] [ 0.221074 0.561932 0.30802 ] [ 0.608651 0.75 0.468287 ] [ 0.869031 0.25 0.415444 ] [ 0.130969 0.75 0.584556 ] [ 0.391349 0.25 0.531713 ] [ 0.778926 0.438068 0.69198 ] [ 0.778926 0.061932 0.69198 ] [ 0.529727 0.75 0.826753 ] [ 0.96454 0.75 0.866054 ] [ 0.301321 0.25 0.91618 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "B" "B" "As" "As" "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" 5.26170277 "source-unit" "angstrom" } "b" { "source-value" 7.24007715 "source-unit" "angstrom" } "c" { "source-value" 8.96256295 "source-unit" "angstrom" } "beta" { "source-value" 91.76877481 "source-unit" "degree" } }