{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.596607 0.498339 ] [ 0.596607 0 0.498339 ] [ 0.403393 0.403393 0.498339 ] [ 0.247149 0 0.020111 ] [ 0.752851 0.752851 0.020111 ] [ 0 0.247149 0.020111 ] [ 0.333333 0.666667 0.982239 ] [ 0.666667 0.333333 0.982239 ] [ 0.262301 0 0.481445 ] [ 0.31637 0.811943 0.981784 ] [ 0.188057 0.504428 0.981784 ] [ 0.820908 0 0.986345 ] [ 0.811943 0.31637 0.981784 ] [ 0.495572 0.68363 0.981784 ] [ 0 0.820908 0.986345 ] [ 0.179092 0.179092 0.986345 ] [ 0.68363 0.495572 0.981784 ] [ 0.737699 0.737699 0.481445 ] [ 0.504428 0.188057 0.981784 ] [ 0 0.262301 0.481445 ] ] } "species" { "source-value" [ "K" "K" "K" "Nb" "Nb" "Nb" "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" 8.91678381687 "source-unit" "angstrom" } "c" { "source-value" 4.03286456 "source-unit" "angstrom" } }