{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.524503 0.682484 ] [ 0.25 0.024503 0.817516 ] [ 0.75 0.975497 0.182484 ] [ 0.75 0.475497 0.317516 ] [ 0.75 0.731567 0.878291 ] [ 0.25 0.268433 0.121709 ] [ 0.75 0.231567 0.621709 ] [ 0.25 0.768433 0.378291 ] [ 0.25 0.653086 0.063662 ] [ 0.75 0.846914 0.563662 ] [ 0.25 0.153086 0.436338 ] [ 0.75 0.346914 0.936338 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.83265281 "source-unit" "angstrom" } "b" { "source-value" 6.27602633 "source-unit" "angstrom" } "c" { "source-value" 7.2795853 "source-unit" "angstrom" } }