{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.262521 ] [ 0 0 0.012521 ] [ 0 0.5 0.762521 ] [ 0.5 0.5 0.512521 ] [ 0 0.5 0.251891 ] [ 0 0 0.501891 ] [ 0.5 0 0.751891 ] [ 0.5 0.5 0.001891 ] [ 0 0.804691 0.749229 ] [ 0 0.801533 0.243565 ] [ 0.695309 0 0.999229 ] [ 0.698467 0 0.493565 ] [ 0.304691 0 0.999229 ] [ 0.801533 0.5 0.993565 ] [ 0 0.198467 0.243565 ] [ 0 0.195309 0.749229 ] [ 0.5 0.304691 0.249229 ] [ 0.5 0.301533 0.743565 ] [ 0.195309 0.5 0.499229 ] [ 0.198467 0.5 0.993565 ] [ 0.804691 0.5 0.499229 ] [ 0.301533 0 0.493565 ] [ 0.5 0.698467 0.743565 ] [ 0.5 0.695309 0.249229 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Cr" "Cr" "Cr" "Cr" "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" 6.70124761 "source-unit" "angstrom" } "c" { "source-value" 6.11167922 "source-unit" "angstrom" } }