[ { "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" 5.46310168504715 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.46310168504715e-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" -15838.812507862278 "source-unit" "GPa" "source-std-uncert-value" 0.007335930750676748 "si-unit" "kg / m s^2" "si-value" -15838812507862.28 } "c12" { "source-value" 53.81760449819715 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618885766 "si-unit" "kg / m s^2" "si-value" 53817604498.19715 } "c44" { "source-value" -6689.186223962781 "source-unit" "GPa" "source-std-uncert-value" 0.001833982692098079 "si-unit" "kg / m s^2" "si-value" -6689186223962.781 } "excess" { "source-value" 0.17157487445614558 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133933 "si-unit" "kg / m s^2" "si-value" 171574874.4561456 } } { "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" 5.46310168504715 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.46310168504715e-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" -5243.725766288628 "source-unit" "GPa" "source-std-uncert-value" 0.004235401583736588 "si-unit" "kg / m s^2" "si-value" -5243725766288.628 } } ]