[ { "host-missing-atom-end" { "source-value" 1 } "host-space-group" { "source-value" "Im-3m" } "host-wyckoff-multiplicity-and-letter" { "source-value" [ "2a" ] } "host-c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "host-missing-atom-start" { "source-value" 1 } "host-a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "host-beta" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "vacancy-migration-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 8.585103716341542e-20 "source-std-uncert-value" 0.00024932323298369833 "source-value" 0.5358400319215206 } "host-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 ] } "property-id" "tag:staff@noreply.openkim.org,2015-09-16:property/monovacancy-neutral-migration-energy-crystal-npt" "instance-id" 1 "host-b" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "host-alpha" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "host-gamma" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "host-wyckoff-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "host-short-name" { "source-value" [ "bcc" ] } "host-wyckoff-species" { "source-value" [ "Fe" ] } } { "host-wyckoff-multiplicity-and-letter" { "source-value" [ "2a" ] } "host-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 ] } "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" 1.570796326794897 "source-value" 90.0 } "reservoir-wyckoff-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "host-space-group" { "source-value" "Im-3m" } "host-c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "host-b" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "host-a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "reservoir-gamma" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "instance-id" 2 "relaxed-formation-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.743536710294684e-19 "source-std-uncert-value" 4.804850679680767e-05 "source-value" 1.7123809414485809 } "host-removed-atom" { "source-value" 1 } "reservoir-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 ] } "reservoir-cohesive-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.320973827832582e-18 "source-value" -8.24487020146563 } "host-beta" { "si-unit" "radian" "source-unit" "degree" "si-value" 1.570796326794897 "source-value" 90.0 } "reservoir-wyckoff-species" { "source-value" [ "Fe" ] } "host-short-name" { "source-value" [ "bcc" ] } "host-wyckoff-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "reservoir-space-group" { "source-value" "Im-3m" } "reservoir-c" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "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" [ "2a" ] } "host-wyckoff-species" { "source-value" [ "Fe" ] } "reservoir-b" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.85532462597e-10 "source-value" 2.8553246259700003 } "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" 2.85532462597e-10 "source-value" 2.8553246259700003 } "reservoir-short-name" { "source-value" [ "bcc" ] } } ]