{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.008244 0.119862 0.19849 ] [ 0.490764 0.58692 0.689862 ] [ 0.991756 0.619862 0.80151 ] [ 0.509236 0.08692 0.310138 ] [ 0.672154 0.092296 0.906587 ] [ 0.327846 0.592296 0.093413 ] [ 0.162005 0.136899 0.569887 ] [ 0.837995 0.636899 0.430113 ] [ 0.205594 0.59863 0.427892 ] [ 0.794406 0.09863 0.572108 ] [ 0.7018 0.591747 0.099104 ] [ 0.2982 0.091747 0.900896 ] [ 0.260372 0.822368 0.932413 ] [ 0.188602 0.192584 0.787907 ] [ 0.735315 0.313829 0.483205 ] [ 0.304669 0.373508 0.453746 ] [ 0.542871 0.612408 0.158129 ] [ 0.803176 0.169234 0.732762 ] [ 0.282693 0.237996 0.042637 ] [ 0.457129 0.112408 0.841871 ] [ 0.811398 0.692584 0.212093 ] [ 0.739628 0.322368 0.067587 ] [ 0.949497 0.016019 0.518033 ] [ 0.695331 0.873508 0.546254 ] [ 0.196824 0.669234 0.267238 ] [ 0.264685 0.813829 0.516795 ] [ 0.717307 0.737996 0.957363 ] [ 0.050503 0.516019 0.481967 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "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" 9.11035069482 "source-unit" "angstrom" } "b" { "source-value" 5.54663703 "source-unit" "angstrom" } "c" { "source-value" 9.34112154103 "source-unit" "angstrom" } "beta" { "source-value" 90.240506795 "source-unit" "degree" } }