[ { "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 8.486637330055238 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.486637330055239e-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" 0.4523261657499238 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808889 "si-unit" "kg / m s^2" "si-value" 452326165.7499238 } "c12" { "source-value" 0.6056311670870657 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361827287 "si-unit" "kg / m s^2" "si-value" 605631167.0870657 } "c44" { "source-value" -0.17360900479629704 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812023207 "si-unit" "kg / m s^2" "si-value" -173609004.796297 } "excess" { "source-value" 0.0006121648243296176 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913295 "si-unit" "kg / m s^2" "si-value" 612164.8243296175 } } { "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 8.486637330055238 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.486637330055239e-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" 0.554529499974685 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724955 "si-unit" "kg / m s^2" "si-value" 554529499.9746851 } } ]