{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.809432 0.75 ] [ 0 0.190568 0.25 ] [ 0.51116 0.851199 0.876684 ] [ 0.48884 0.851199 0.623316 ] [ 0.48884 0.148801 0.123316 ] [ 0.51116 0.148801 0.376684 ] [ 0.790726 0.337957 0.941458 ] [ 0.209274 0.337957 0.558542 ] [ 0.209274 0.662043 0.058542 ] [ 0.790726 0.662043 0.441458 ] [ 0.814496 0.852852 0.048737 ] [ 0.185504 0.852852 0.451263 ] [ 0.185504 0.147148 0.951263 ] [ 0.814496 0.147148 0.548737 ] [ 0.5 0.347041 0.75 ] [ 0.5 0.652959 0.25 ] [ 0.739932 0.108172 0.066741 ] [ 0.260068 0.108172 0.433259 ] [ 0.032574 0.237598 0.891831 ] [ 0.967426 0.237598 0.608169 ] [ 0.591104 0.790103 0.33262 ] [ 0.408896 0.790103 0.16738 ] [ 0.408896 0.209897 0.66738 ] [ 0.591104 0.209897 0.83262 ] [ 0.5 0.377637 0.25 ] [ 0.5 0.622363 0.75 ] [ 0.72493 0.293452 0.466526 ] [ 0.27507 0.293452 0.033474 ] [ 0.27507 0.706548 0.533474 ] [ 0.72493 0.706548 0.966526 ] [ 0.739932 0.891828 0.566741 ] [ 0.260068 0.891828 0.933259 ] [ 0.032574 0.762402 0.391831 ] [ 0.967426 0.762402 0.108169 ] ] } "species" { "source-value" [ "K" "K" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "B" "B" "B" "B" "B" "B" "O" "O" "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" 7.05019656 "source-unit" "angstrom" } "b" { "source-value" 5.05523881 "source-unit" "angstrom" } "c" { "source-value" 12.77338576 "source-unit" "angstrom" } "beta" { "source-value" 94.02036487 "source-unit" "degree" } }