{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.768068 0.94933 ] [ 0.25 0.731932 0.44933 ] [ 0.25 0.300227 0.807777 ] [ 0.75 0.268068 0.55067 ] [ 0.75 0.231932 0.05067 ] [ 0.75 0.699773 0.192223 ] [ 0.25 0.199773 0.307777 ] [ 0.75 0.800227 0.692223 ] [ 0.75 0.479733 0.36564 ] [ 0.75 0.020267 0.86564 ] [ 0.25 0.979733 0.13436 ] [ 0.25 0.520267 0.63436 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04980466 "source-unit" "angstrom" } "b" { "source-value" 5.44186301 "source-unit" "angstrom" } "c" { "source-value" 13.58747391 "source-unit" "angstrom" } }