{ "property-id" "tag:staff@noreply.openkim.org,2021-02-24:property/dislocation-core-energy-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "W" "W" ] } "a" { "source-value" 3.165197603404522 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.165197603404522e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-3m" } "cauchy-stress" { "source-value" [ 0.0 0.0 0.0 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 ] } "slip-plane-miller-indices" { "source-value" [ -1 1 0 ] } "dislocation-line-direction" { "source-value" [ 1 1 1 ] } "burgers-vector-direction" { "source-value" [ 0.5 0.5 0.5 ] } "dislocation-core-radius" { "source-value" [ 0.25 0.5 0.75 1.0 2.0 3.0 4.0 5.0 6.0 ] } "core-energy-nonsingular" { "source-value" [ -0.919299949022048 -0.5082311487287832 -0.2677714447916852 -0.0971628657080062 0.31389723880754683 0.5543200647137687 0.7248324563132118 0.8569716198272788 0.9647588495512709 ] "source-std-uncert-value" [ 0.0035225212522395286 0.00352256830021669 0.0035227718678922273 0.003523318688063495 0.0035351748294410526 0.0035853618689150294 0.0037160151622367987 0.003979960914473708 0.004435796695317182 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.472880897960516e-19 -8.142760711642352e-20 -4.29017152097659e-20 -1.556720731298474e-20 5.029188214945695e-20 8.881186554417681e-20 1.161309625069854e-19 1.373019905288397e-19 1.545714086195767e-19 ] } "core-energy-isotropic" { "source-value" [ -0.6227764619387477 -0.21170762705710072 0.02875222656513876 0.1993612078267714 0.6104300427089577 0.8508898963319222 1.02149887759272 1.153833484472691 1.2619587312143108 ] "source-std-uncert-value" [ 0.003522518110446433 0.0035225181106890682 0.0035225181110839295 0.0035225181128614386 0.0035225181117861594 0.0035225181114018995 0.003522518111740452 0.003522518111289443 0.0035225181113253956 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -9.977978955234519e-20 -3.391930133104729e-20 4.60661455781394e-21 3.194118689060711e-20 9.78016751119914e-20 1.363275910009688e-19 1.636621633336282e-19 1.848645048348947e-19 2.021880792223855e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.6334093774164187 -0.2207246814070573 0.020680390380048597 0.19196001460283968 0.6046447106118285 0.8460497823985987 1.0173294066211893 1.1501842045966284 1.2587344784085521 ] "source-std-uncert-value" [ 0.0025587633427717298 0.002558763342654569 0.002558763343509151 0.002558763342372026 0.0025587633427256134 0.0025587633421798595 0.0025587633427663313 0.0025587633430339345 0.002558763342843528 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.014833704253073e-19 -3.536399270974815e-20 3.313363824891224e-21 3.075538500589685e-20 9.687476272139633e-20 1.355521192559819e-19 1.629941404369554e-19 1.842798257400593e-19 2.01671496971636e-19 ] } }