[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.446704925596714 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.446704925596715e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" -949899.7869936535 "source-unit" "GPa" "source-std-uncert-value" 0.0073359322724286585 "si-unit" "kg / m s^2" "si-value" -949899786993653.5 } "c12" { "source-value" 164.50282264916254 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362016066 "si-unit" "kg / m s^2" "si-value" 164502822649.1625 } "c44" { "source-value" -712535.9080139342 "source-unit" "GPa" "source-std-uncert-value" 0.0018339838418545145 "si-unit" "kg / m s^2" "si-value" -712535908013934.1 } "excess" { "source-value" 0.9126548189780808 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091382 "si-unit" "kg / m s^2" "si-value" 912654818.9780807 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.446704925596714 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.446704925596715e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" -316523.59378278506 "source-unit" "GPa" "source-std-uncert-value" 0.0042354018766672975 "si-unit" "kg / m s^2" "si-value" -316523593782785.1 } } ]