{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.872478 0.188274 0.5 ] [ 0.811726 0.872478 0.5 ] [ 0.188274 0.127522 0.5 ] [ 0.127522 0.811726 0.5 ] [ 0.5 0.5 0.5 ] [ 0.372478 0.688274 0 ] [ 0.311726 0.372478 0 ] [ 0.688274 0.627522 0 ] [ 0.627522 0.311726 0 ] [ 0.293278 0.946857 0 ] [ 0.053143 0.293278 0 ] [ 0.946857 0.706722 0 ] [ 0.706722 0.053143 0 ] [ 0.793278 0.446857 0.5 ] [ 0.553143 0.793278 0.5 ] [ 0.446857 0.206722 0.5 ] [ 0.206722 0.553143 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4204354258 "source-unit" "angstrom" } "c" { "source-value" 3.58550679212 "source-unit" "angstrom" } }