[ { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.811939299106598 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.811939299106598e-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" -2724037.549716269 "source-unit" "GPa" "source-std-uncert-value" 0.0073359351623241845 "si-unit" "kg / m s^2" "si-value" -2724037549716269.0 } "c12" { "source-value" 232.07019104696178 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636209389 "si-unit" "kg / m s^2" "si-value" 232070191046.9618 } "c44" { "source-value" -1021579.4808832388 "source-unit" "GPa" "source-std-uncert-value" 0.001833984345256777 "si-unit" "kg / m s^2" "si-value" -1021579480883239.0 } "excess" { "source-value" 978045.4303521015 "source-unit" "GPa" "source-std-uncert-value" 0.0025936437441747076 "si-unit" "kg / m s^2" "si-value" 978045430352101.5 } } { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.811939299106598 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.811939299106598e-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" -907857.8031113917 "source-unit" "GPa" "source-std-uncert-value" 0.0042354024328704635 "si-unit" "kg / m s^2" "si-value" -907857803111391.8 } } ]