{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.868736 0.131264 0.5 ] [ 0.631264 0.631264 0 ] [ 0.368736 0.368736 0 ] [ 0.131264 0.868736 0.5 ] [ 0.884918 0.115082 0 ] [ 0.615082 0.615082 0.5 ] [ 0.384918 0.384918 0.5 ] [ 0.115082 0.884918 0 ] [ 0.905339 0.905339 0.5 ] [ 0.892536 0.330709 0.5 ] [ 0.830709 0.607464 0 ] [ 0.669291 0.107464 0.5 ] [ 0.607464 0.830709 0 ] [ 0.594661 0.405339 0 ] [ 0.405339 0.594661 0 ] [ 0.392536 0.169291 0 ] [ 0.330709 0.892536 0.5 ] [ 0.169291 0.392536 0 ] [ 0.107464 0.669291 0.5 ] [ 0.094661 0.094661 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.35749126 "source-unit" "angstrom" } "c" { "source-value" 3.86005484 "source-unit" "angstrom" } }