[ { "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 7.0948348999023505 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.094834899902351e-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" -152871.04665210666 "source-unit" "GPa" "source-std-uncert-value" 0.007335930973865196 "si-unit" "kg / m s^2" "si-value" -152871046652106.7 } "c12" { "source-value" 26.040646551619233 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361856583 "si-unit" "kg / m s^2" "si-value" 26040646551.61923 } "c44" { "source-value" -114660.91591959713 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828679736444 "si-unit" "kg / m s^2" "si-value" -114660915919597.1 } "excess" { "source-value" 5.3865751947594935 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809163965 "si-unit" "kg / m s^2" "si-value" 5386575194.759494 } } { "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 7.0948348999023505 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.094834899902351e-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" -50939.655119667805 "source-unit" "GPa" "source-std-uncert-value" 0.0042354016266718105 "si-unit" "kg / m s^2" "si-value" -50939655119667.8 } } ]