{ "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" [ [ 0.888615 0.276128 0.127614 ] [ 0.111385 0.776128 0.372386 ] [ 0.888615 0.223872 0.627614 ] [ 0.111385 0.723872 0.872386 ] [ 0.533503 0.551545 0.273086 ] [ 0.466497 0.051545 0.226914 ] [ 0.533503 0.948455 0.773086 ] [ 0.466497 0.448455 0.726914 ] [ 0.845095 0.795592 0.104601 ] [ 0.154905 0.295592 0.395399 ] [ 0.845095 0.704408 0.604601 ] [ 0.154905 0.204408 0.895399 ] [ 0.31812 0.188591 0.048451 ] [ 0.919391 0.662317 0.166014 ] [ 0.942333 0.907768 0.205125 ] [ 0.057667 0.407768 0.294875 ] [ 0.68188 0.688591 0.451549 ] [ 0.080609 0.162317 0.333986 ] [ 0.919391 0.837683 0.666014 ] [ 0.31812 0.311409 0.548451 ] [ 0.942333 0.592232 0.705125 ] [ 0.057667 0.092232 0.794875 ] [ 0.080609 0.337683 0.833986 ] [ 0.68188 0.811409 0.951549 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 3.187516 "source-unit" "angstrom" } "b" { "source-value" 9.64459287 "source-unit" "angstrom" } "c" { "source-value" 9.40127477 "source-unit" "angstrom" } "beta" { "source-value" 109.01304393 "source-unit" "degree" } }