[ { "short-name" { "source-value" [ "hcp" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.43414839162e-10 "source-value" 2.4341483916233893 } "c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.79421960382e-10 "source-value" 3.794219603816094 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "space-group" { "source-value" "P63/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.6666666666666666 0.3333333333333333 0.5 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "species" { "source-value" [ "Mo" "Mo" ] } "instance-id" 1 } { "short-name" { "source-value" [ "hcp" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.43414839162e-10 "source-value" 2.4341483916233893 } "c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.79421960382e-10 "source-value" 3.794219603816094 } "cohesive-free-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.342773798282957e-18 "source-value" 8.38093491597582 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-free-energy-hexagonal-crystal" "space-group" { "source-value" "P63/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.6666666666666666 0.3333333333333333 0.5 ] ] } "species" { "source-value" [ "Mo" "Mo" ] } "instance-id" 2 } ]