[ { "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.892897859215736 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.892897859215736e-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" -9847.847389976669 "source-unit" "GPa" "source-std-uncert-value" 0.00733593074110432 "si-unit" "kg / m s^2" "si-value" -9847847389976.668 } "c12" { "source-value" 123.44551169306679 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361968775 "si-unit" "kg / m s^2" "si-value" 123445511693.0668 } "c44" { "source-value" -7434.490830776046 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826933121085 "si-unit" "kg / m s^2" "si-value" -7434490830776.046 } "excess" { "source-value" 0.06101520673893331 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133295 "si-unit" "kg / m s^2" "si-value" 61015206.73893331 } } { "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.892897859215736 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.892897859215736e-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" -3200.3187888635116 "source-unit" "GPa" "source-std-uncert-value" 0.004235401581938028 "si-unit" "kg / m s^2" "si-value" -3200318788863.512 } } ]