[ { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.910221323370934 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.910221323370934e-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" -11133.668111085413 "source-unit" "GPa" "source-std-uncert-value" 0.007335930743097452 "si-unit" "kg / m s^2" "si-value" -11133668111085.41 } "c12" { "source-value" 75.6646745499079 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619137404 "si-unit" "kg / m s^2" "si-value" 75664674549.9079 } "c44" { "source-value" -8377.473580747434 "source-unit" "GPa" "source-std-uncert-value" 0.001833982694848137 "si-unit" "kg / m s^2" "si-value" -8377473580747.434 } "excess" { "source-value" 0.05323771201660784 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133248 "si-unit" "kg / m s^2" "si-value" 53237712.01660784 } } { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.910221323370934 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.910221323370934e-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" -3660.779587328532 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015822916495 "si-unit" "kg / m s^2" "si-value" -3660779587328.532 } } ]