[ { "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" 3.276087455451488 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.276087455451488e-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" 174.2456456550111 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725091982 "si-unit" "kg / m s^2" "si-value" 174245645655.0111 } "c12" { "source-value" 107.10169999171615 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619499485 "si-unit" "kg / m s^2" "si-value" 107101699991.7161 } "c44" { "source-value" 63.01338743672687 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813046807 "si-unit" "kg / m s^2" "si-value" 63013387436.72688 } "excess" { "source-value" 0.034845101766959964 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133144 "si-unit" "kg / m s^2" "si-value" 34845101.76695997 } } { "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" 3.276087455451488 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.276087455451488e-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" 129.48301521281445 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578846204 "si-unit" "kg / m s^2" "si-value" 129483015212.8145 } } ]