[ { "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 6.691603571176529 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.691603571176529e-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" -57320.78927626417 "source-unit" "GPa" "source-std-uncert-value" 0.007335930818272971 "si-unit" "kg / m s^2" "si-value" -57320789276264.17 } "c12" { "source-value" 40.56827812055414 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361873316 "si-unit" "kg / m s^2" "si-value" 40568278120.55414 } "c44" { "source-value" -21484.239192233767 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827161977977 "si-unit" "kg / m s^2" "si-value" -21484239192233.77 } "excess" { "source-value" 2.4055942633443874 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091468 "si-unit" "kg / m s^2" "si-value" 2405594263.344388 } } { "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 6.691603571176529 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.691603571176529e-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" -19079.884240007686 "source-unit" "GPa" "source-std-uncert-value" 0.00423540159673718 "si-unit" "kg / m s^2" "si-value" -19079884240007.69 } } ]