{ "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" [ [ 0.581574 0.75 0.894876 ] [ 0.418426 0.25 0.105124 ] [ 0.778467 0.75 0.439866 ] [ 0.221533 0.25 0.560134 ] [ 0.878666 0.092031 0.531817 ] [ 0.121334 0.592031 0.468183 ] [ 0.121334 0.907969 0.468183 ] [ 0.878666 0.407969 0.531817 ] [ 0.795763 0.050301 0.88526 ] [ 0.204237 0.550301 0.11474 ] [ 0.204237 0.949699 0.11474 ] [ 0.795763 0.449699 0.88526 ] ] } "species" { "source-value" [ "La" "La" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.80068828055 "source-unit" "angstrom" } "b" { "source-value" 9.71643009 "source-unit" "angstrom" } "c" { "source-value" 5.66917243146 "source-unit" "angstrom" } "beta" { "source-value" 107.448517489 "source-unit" "degree" } }