{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.141578 ] [ 0 0.75 0.358422 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0.25 0.641578 ] [ 0.5 0.25 0.858422 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.017434 0.234884 ] [ 0 0.482566 0.234884 ] [ 0.266955 0.75 0.500598 ] [ 0.733045 0.75 0.500598 ] [ 0.766955 0.75 0.999402 ] [ 0.233045 0.75 0.999402 ] [ 0.5 0.017434 0.265116 ] [ 0.5 0.482566 0.265116 ] [ 0.5 0.517434 0.734884 ] [ 0.5 0.982566 0.734884 ] [ 0.766955 0.25 0.000598 ] [ 0.233045 0.25 0.000598 ] [ 0.266955 0.25 0.499402 ] [ 0.733045 0.25 0.499402 ] [ 0 0.517434 0.765116 ] [ 0 0.982566 0.765116 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Sn" "Sn" "Sn" "Sn" "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" 6.0984264153 "source-unit" "angstrom" } "b" { "source-value" 6.32976975435 "source-unit" "angstrom" } "c" { "source-value" 8.79357909047 "source-unit" "angstrom" } }