[ { "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" 3.435262396931649 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.435262396931649e-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" 1.6716554795939678 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248108754 "si-unit" "kg / m s^2" "si-value" 1671655479.593968 } "c12" { "source-value" 2.0683792511596137 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618289715 "si-unit" "kg / m s^2" "si-value" 2068379251.159614 } "c44" { "source-value" 2.0701589712045614 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268120541 "si-unit" "kg / m s^2" "si-value" 2070158971.204561 } "excess" { "source-value" 0.0008688655998384595 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913295 "si-unit" "kg / m s^2" "si-value" 868865.5998384595 } } { "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" 3.435262396931649 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.435262396931649e-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" 1.936137993971065 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578726254 "si-unit" "kg / m s^2" "si-value" 1936137993.971065 } } ]