{ "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" [ [ 0.75 0.474505 0.673426 ] [ 0.25 0.025495 0.173426 ] [ 0.75 0.974505 0.826574 ] [ 0.25 0.525495 0.326574 ] [ 0.25 0.268735 0.875411 ] [ 0.25 0.768735 0.624589 ] [ 0.75 0.731265 0.124589 ] [ 0.75 0.231265 0.375411 ] [ 0.25 0.645258 0.937453 ] [ 0.25 0.145258 0.562547 ] [ 0.75 0.854742 0.437453 ] [ 0.75 0.354742 0.062547 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "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" 3.77747066 "source-unit" "angstrom" } "b" { "source-value" 6.45341974 "source-unit" "angstrom" } "c" { "source-value" 7.36793911 "source-unit" "angstrom" } }