{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.969755 ] [ 0.5 0.75 0.719755 ] [ 0 0.25 0.530245 ] [ 0 0.75 0.780245 ] [ 0 0.75 0.469755 ] [ 0 0.25 0.219755 ] [ 0.5 0.75 0.030245 ] [ 0.5 0.25 0.280245 ] [ 0.5 0.25 0.822018 ] [ 0.5 0.75 0.572018 ] [ 0 0.25 0.677982 ] [ 0 0.75 0.927982 ] [ 0 0.75 0.322018 ] [ 0 0.25 0.072018 ] [ 0.5 0.75 0.177982 ] [ 0.5 0.25 0.427982 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.13188067423 "source-unit" "angstrom" } "c" { "source-value" 17.0566910167 "source-unit" "angstrom" } }