[ { "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" [ "Ti" "Ti" ] } "a" { "source-value" 3.291938543319702 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.291938543319702e-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" 120.39987538339669 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725004271 "si-unit" "kg / m s^2" "si-value" 120399875383.3967 } "c12" { "source-value" 109.20983596446888 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361952378 "si-unit" "kg / m s^2" "si-value" 109209835964.4689 } "c44" { "source-value" 77.43225705590055 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813281678 "si-unit" "kg / m s^2" "si-value" 77432257055.90054 } "excess" { "source-value" 0.07003157431741279 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133347 "si-unit" "kg / m s^2" "si-value" 70031574.3174128 } } { "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" [ "Ti" "Ti" ] } "a" { "source-value" 3.291938543319702 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.291938543319702e-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" 112.93984910411149 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578830647 "si-unit" "kg / m s^2" "si-value" 112939849104.1115 } } ]