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"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 ] } "reservoir-alpha" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "reservoir-beta" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "host-gamma" { "si-unit" "radian" "source-unit" "degree" "si-value" 2.094395102393196 "source-value" 120.00000000000001 } "reservoir-wyckoff-coordinates" { "source-value" [ [ 0.6666666666666666 0.3333333333333333 0.25 ] ] } "host-space-group" { "source-value" "P63/mmc" } "host-c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 5.38840963274e-10 "source-value" 5.38840963274 } "host-b" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.15729545278e-10 "source-value" 3.1572954527799997 } "host-a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.15729545278e-10 "source-value" 3.15729545278 } "reservoir-gamma" { "si-unit" "radian" "source-unit" "degree" "si-value" 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"si-unit" "m" "source-unit" "angstrom" "si-value" 5.38840963274e-10 "source-value" 5.38840963274 } "property-id" "tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxed-formation-potential-energy-crystal-npt" "reservoir-wyckoff-multiplicity-and-letter" { "source-value" [ "2d" ] } "host-wyckoff-species" { "source-value" [ "Mg" ] } "reservoir-b" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.15729545278e-10 "source-value" 3.1572954527799997 } "host-alpha" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "reservoir-a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.15729545278e-10 "source-value" 3.15729545278 } "reservoir-short-name" { "source-value" [ "hcp" ] } } { "host-space-group" { "source-value" "P63/mmc" } "host-wyckoff-multiplicity-and-letter" { "source-value" [ "2d" ] } "host-c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 5.38840963274e-10 "source-value" 5.38840963274 } "host-b" { "si-unit" 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"source-value" 120.00000000000001 } "host-wyckoff-coordinates" { "source-value" [ [ 0.6666666666666666 0.3333333333333333 0.25 ] ] } "host-short-name" { "source-value" [ "hcp" ] } "host-wyckoff-species" { "source-value" [ "Mg" ] } } ]