{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.728611 ] [ 0.5 0 0.271389 ] [ 0.5 0.803927 0.885024 ] [ 0 0.696073 0.114976 ] [ 0.5 0.196073 0.885024 ] [ 0.5 0.5 0.366252 ] [ 0 0.303927 0.114976 ] [ 0 0 0.633748 ] [ 0.5 0.226641 0.588394 ] [ 0 0.273359 0.411606 ] [ 0 0 0.955813 ] [ 0.5 0.5 0.044187 ] [ 0 0.726641 0.411606 ] [ 0.5 0.773359 0.588394 ] ] } "species" { "source-value" [ "Sr" "Sr" "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.64173487 "source-unit" "angstrom" } "b" { "source-value" 7.94886343 "source-unit" "angstrom" } "c" { "source-value" 9.25507425 "source-unit" "angstrom" } }