{ "instance-id" 1 "property-id" "tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxed-formation-potential-energy-crystal-npt" "relaxed-formation-potential-energy" { "source-value" 1.11 "source-unit" "eV" } "host-a" { "source-value" 4.4785572 "source-unit" "angstrom" } "host-b" { "source-value" 4.4785572 "source-unit" "angstrom" } "host-c" { "source-value" 7.35201998 "source-unit" "angstrom" } "host-alpha" { "source-value" 90 "source-unit" "degree" } "host-beta" { "source-value" 90 "source-unit" "degree" } "host-gamma" { "source-value" 120 "source-unit" "degree" } "host-cauchy-stress" { "source-value" [ 0 0 0 0 0 ] "source-unit" "GPa" } "host-removed-atom" { "source-value" 1 } "host-short-name" { "source-value" [ "hcp" ] } "host-space-group" { "source-value" "P6_3/mmc" } "host-wyckoff-coordinates" { "source-value" [ [ 0.666666666666667 0.333333333333333 0.250000000000000 ] ] } "host-wyckoff-multiplicity-and-letter" { "source-value" [ "2d" ] } "host-wyckoff-species" { "source-value" [ "Ba" ] } "reservoir-a" { "source-value" 4.4785572 "source-unit" "angstrom" } "reservoir-b" { "source-value" 4.4785572 "source-unit" "angstrom" } "reservoir-c" { "source-value" 7.35201998 "source-unit" "angstrom" } "reservoir-alpha" { "source-value" 90 "source-unit" "degree" } "reservoir-beta" { "source-value" 90 "source-unit" "degree" } "reservoir-gamma" { "source-value" 120 "source-unit" "degree" } "reservoir-cauchy-stress" { "source-value" [ 0 0 0 0 0 ] "source-unit" "GPa" } "reservoir-short-name" { "source-value" [ "hcp" ] } "reservoir-space-group" { "source-value" "P6_3/mmc" } "reservoir-wyckoff-coordinates" { "source-value" [ [ 0.666666666666667 0.333333333333333 0.250000000000000 ] ] } "reservoir-wyckoff-multiplicity-and-letter" { "source-value" [ "2d" ] } "reservoir-wyckoff-species" { "source-value" [ "Ba" ] } }