[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.976307407021523 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.976307407021523e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 305.81903350686076 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725306303 "si-unit" "kg / m s^2" "si-value" 305819033506.8608 } "c12" { "source-value" 228.0945153098941 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362089311 "si-unit" "kg / m s^2" "si-value" 228094515309.8941 } "c44" { "source-value" 67.76521993709939 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681312421 "si-unit" "kg / m s^2" "si-value" 67765219937.09939 } "excess" { "source-value" 0.0004176010648394378 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 417601.0648394378 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.976307407021523 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.976307407021523e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 254.0026880422163 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157896331 "si-unit" "kg / m s^2" "si-value" 254002688042.2163 } } ]