{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.233602 0.381607 ] [ 0.266398 0.5 0.881607 ] [ 0.5 0.266398 0.118393 ] [ 0.5 0.733602 0.118393 ] [ 0.733602 0.5 0.881607 ] [ 0.766398 0 0.618393 ] [ 0 0.766398 0.381607 ] [ 0.233602 0 0.618393 ] ] } "species" { "source-value" [ "Na" "Na" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.29275962635 "source-unit" "angstrom" } "c" { "source-value" 5.94958589745 "source-unit" "angstrom" } }