{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.7504 0.25 ] [ 0.5 0.2496 0.75 ] [ 0 0.2504 0.25 ] [ 0 0.7496 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.963884 0.25 ] [ 0 0.036116 0.75 ] [ 0.5 0.463884 0.25 ] [ 0.5 0.536116 0.75 ] [ 0 0.121468 0.550197 ] [ 0 0.878532 0.449803 ] [ 0 0.878532 0.050197 ] [ 0 0.121468 0.949803 ] [ 0.5 0.065686 0.25 ] [ 0.5 0.934314 0.75 ] [ 0.5 0.621468 0.550197 ] [ 0.5 0.378532 0.449803 ] [ 0.5 0.378532 0.050197 ] [ 0.5 0.621468 0.949803 ] [ 0 0.565686 0.25 ] [ 0 0.434314 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sm" "Sm" "Sm" "Sm" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.60576987 "source-unit" "angstrom" } "b" { "source-value" 17.39691924 "source-unit" "angstrom" } "c" { "source-value" 12.03612718 "source-unit" "angstrom" } }