[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ne" "Ne" ] } "a" { "source-value" 1.2767931595444681 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.276793159544468e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 31.70324774956263 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724859794 "si-unit" "kg / m s^2" "si-value" 31703247749.56263 } "c12" { "source-value" 38.70807837377737 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361871174 "si-unit" "kg / m s^2" "si-value" 38708078373.77737 } "c44" { "source-value" 38.7507598107917 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812651594 "si-unit" "kg / m s^2" "si-value" 38750759810.7917 } "excess" { "source-value" 0.020784683936926108 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913306 "si-unit" "kg / m s^2" "si-value" 20784683.93692611 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ne" "Ne" ] } "a" { "source-value" 1.2767931595444681 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.276793159544468e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 36.37313483237246 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157875864 "si-unit" "kg / m s^2" "si-value" 36373134832.37246 } } ]