{ "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 0.248743 0.25 ] [ 0 0.751257 0.75 ] [ 0.5 0.748743 0.25 ] [ 0.5 0.251257 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.962051 0.75 ] [ 0.5 0.037949 0.25 ] [ 0 0.462051 0.75 ] [ 0 0.537949 0.25 ] [ 0.5 0.881144 0.956095 ] [ 0.5 0.118856 0.043905 ] [ 0 0.935415 0.25 ] [ 0 0.064585 0.75 ] [ 0.5 0.881144 0.543905 ] [ 0.5 0.118856 0.456095 ] [ 0 0.381144 0.956095 ] [ 0 0.618856 0.043905 ] [ 0.5 0.435415 0.25 ] [ 0.5 0.564585 0.75 ] [ 0 0.381144 0.543905 ] [ 0 0.618856 0.456095 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Tm" "Tm" "Tm" "Tm" "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" 4.51552724 "source-unit" "angstrom" } "b" { "source-value" 17.37465408 "source-unit" "angstrom" } "c" { "source-value" 11.81866523 "source-unit" "angstrom" } }