[ { "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" [ "Te" "Te" "Te" "Te" ] } "a" { "source-value" 4.989181786775589 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.989181786775589e-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" 222.99605036928878 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725171392 "si-unit" "kg / m s^2" "si-value" 222996050369.2888 } "c12" { "source-value" 233.26001267307507 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362095259 "si-unit" "kg / m s^2" "si-value" 233260012673.0751 } "c44" { "source-value" 29.96219315832376 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812508436 "si-unit" "kg / m s^2" "si-value" 29962193158.32376 } "excess" { "source-value" 5.714910026693406e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5714.910026693406 } } { "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" [ "Te" "Te" "Te" "Te" ] } "a" { "source-value" 4.989181786775589 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.989181786775589e-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" 229.83869190514628 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578940584 "si-unit" "kg / m s^2" "si-value" 229838691905.1463 } } ]