{ "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 0.75 0.140356 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0.75 0.359644 ] [ 0.5 0.25 0.640356 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0.25 0.859644 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.284665 0.75 0.001457 ] [ 0.715335 0.75 0.001457 ] [ 0 0.486995 0.28355 ] [ 0 0.013005 0.28355 ] [ 0.5 0.486995 0.21645 ] [ 0.5 0.013005 0.21645 ] [ 0.784665 0.75 0.498543 ] [ 0.215335 0.75 0.498543 ] [ 0.784665 0.25 0.501457 ] [ 0.215335 0.25 0.501457 ] [ 0.5 0.986995 0.78355 ] [ 0.5 0.513005 0.78355 ] [ 0 0.986995 0.71645 ] [ 0 0.513005 0.71645 ] [ 0.284665 0.25 0.998543 ] [ 0.715335 0.25 0.998543 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "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" 6.56178191 "source-unit" "angstrom" } "b" { "source-value" 6.58507059 "source-unit" "angstrom" } "c" { "source-value" 9.53439279 "source-unit" "angstrom" } }