[ { "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" 5.922814778983593 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.922814778983593e-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" -20260.03802693194 "source-unit" "GPa" "source-std-uncert-value" 0.007335930757897674 "si-unit" "kg / m s^2" "si-value" -20260038026931.94 } "c12" { "source-value" 66.8052150313069 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361903536 "si-unit" "kg / m s^2" "si-value" 66805215031.3069 } "c44" { "source-value" -7627.551509329271 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826936265861 "si-unit" "kg / m s^2" "si-value" -7627551509329.271 } "excess" { "source-value" 0.09977820051671264 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913352 "si-unit" "kg / m s^2" "si-value" 99778200.51671264 } } { "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" 5.922814778983593 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.922814778983593e-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" -6708.809198956442 "source-unit" "GPa" "source-std-uncert-value" 0.004235401585134399 "si-unit" "kg / m s^2" "si-value" -6708809198956.441 } } ]