[ { "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" 5.324109673500061 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.324109673500061e-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" 85.70658715832253 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724947762 "si-unit" "kg / m s^2" "si-value" 85706587158.32254 } "c12" { "source-value" 103.65576521359931 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361945981 "si-unit" "kg / m s^2" "si-value" 103655765213.5993 } "c44" { "source-value" -665880.0555190685 "source-unit" "GPa" "source-std-uncert-value" 0.0018339837658566175 "si-unit" "kg / m s^2" "si-value" -665880055519068.5 } "excess" { "source-value" 107.01786141985349 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180974926 "si-unit" "kg / m s^2" "si-value" 107017861419.8535 } } { "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" 5.324109673500061 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.324109673500061e-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" 97.67270586184038 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578816289 "si-unit" "kg / m s^2" "si-value" 97672705861.84038 } } ]