[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.630687035620213 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.630687035620213e-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" 1507.822519391151 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072726425 "si-unit" "kg / m s^2" "si-value" 1507822519391.151 } "c12" { "source-value" 860.2791146000754 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362817466 "si-unit" "kg / m s^2" "si-value" 860279114600.0754 } "c44" { "source-value" 862.0671558860716 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826826062626 "si-unit" "kg / m s^2" "si-value" 862067155886.0717 } "excess" { "source-value" 0.8555295310706383 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913787 "si-unit" "kg / m s^2" "si-value" 855529531.0706383 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.630687035620213 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.630687035620213e-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" 1076.1269161971006 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579736474 "si-unit" "kg / m s^2" "si-value" 1076126916197.101 } } ]