[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.15941480398179 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.15941480398179e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 207.15986597671872 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725145595 "si-unit" "kg / m s^2" "si-value" 207159865976.7187 } "c12" { "source-value" 178.14577253305822 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362031779 "si-unit" "kg / m s^2" "si-value" 178145772533.0582 } "c44" { "source-value" 26.69563864100033 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812455227 "si-unit" "kg / m s^2" "si-value" 26695638641.00033 } "excess" { "source-value" 0.06068869836304136 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913329 "si-unit" "kg / m s^2" "si-value" 60688698.36304136 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.15941480398179 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.15941480398179e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 187.8171370142784 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578901066 "si-unit" "kg / m s^2" "si-value" 187817137014.2784 } } ]