{ "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" 3.165200009942055 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.165200009942056e-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 5 ] } "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" [ -0.32629267371723314 0.16195539255082783 0.44761156044895895 0.6503402585338525 1.1392688143253278 1.426045984104625 1.6303168734260716 1.7895566531426006 1.9204368705710364 ] "source-std-uncert-value" [ 0.010687521071442628 0.010698185585728943 0.010715992090475388 0.010740988034929186 0.010914364209665227 0.011209954806091115 0.011634232784812645 0.012190597369945183 0.012876198545166384 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.227784976751368e-20 2.59481145695234e-20 7.171527832596005e-20 1.041959966372457e-19 1.825309874156925e-19 2.284777554741965e-19 2.612055600619187e-19 2.867185854884317e-19 3.076879081100997e-19 ] } "core-energy-isotropic" { "source-value" [ -0.1414125592339411 0.3467898288315952 0.6323699186140946 0.8349922168981593 1.3231946049635492 1.6087746947438333 1.8113969930291194 1.9685630577384747 2.0969770828098233 ] "source-std-uncert-value" [ 0.010683969493952674 0.010683969494818372 0.010683969493803654 0.010683969494724527 0.010683969494050044 0.01068396949420321 0.010683969494234072 0.010683969494289142 0.010683969494164837 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.265678981587614e-20 5.556185606628414e-20 1.013168307647984e-19 1.337805019486091e-19 2.119991478307459e-19 2.577541225289052e-19 2.902177937129116e-19 3.153985733664177e-19 3.359727684111382e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.14401220828674113 0.3444974295984004 0.6302572489756636 0.8330070674616751 1.321516705350742 1.6072765247663214 1.8100263432430133 1.9672913202928484 2.095786162646974 ] "source-std-uncert-value" [ 0.010734489583123103 0.010734489583566913 0.010734489582669923 0.010734489590985823 0.010734489574838194 0.01073448957569581 0.010734489575508011 0.010734489579713017 0.010734489585490623 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.307329951277578e-20 5.519457321756171e-20 1.009783437717929e-19 1.334624459443957e-19 2.117303186753621e-19 2.575140892357322e-19 2.899981914068419e-19 3.151948185644212e-19 3.357819619653505e-19 ] } }