{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.721262 0.634155 0.407479 ] [ 0.778738 0.134155 0.092521 ] [ 0.278738 0.365845 0.592521 ] [ 0.221262 0.865845 0.907479 ] [ 0.182122 0.989861 0.320843 ] [ 0.317878 0.489861 0.179157 ] [ 0.817878 0.010139 0.679157 ] [ 0.682122 0.510139 0.820843 ] [ 0.975448 0.13115 0.322907 ] [ 0.524552 0.63115 0.177093 ] [ 0.024552 0.86885 0.677093 ] [ 0.475448 0.36885 0.822907 ] [ 0.287697 0.845026 0.42153 ] [ 0.212303 0.345026 0.07847 ] [ 0.712303 0.154974 0.57847 ] [ 0.787697 0.654974 0.92153 ] [ 0.842276 0.257644 0.780171 ] [ 0.657724 0.757644 0.719829 ] [ 0.157724 0.742356 0.219829 ] [ 0.342276 0.242356 0.280171 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "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" 6.62542762397 "source-unit" "angstrom" } "b" { "source-value" 4.3182692 "source-unit" "angstrom" } "c" { "source-value" 12.3263144581 "source-unit" "angstrom" } "beta" { "source-value" 95.7033135886 "source-unit" "degree" } }