{ "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" 3.164849452674389 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.164849452674389e-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" [ 2 2 -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" [ -0.44804743709278616 0.07085409102394125 0.37409784359069187 0.5900220763357207 1.1104453345674987 1.4169289633118431 1.6371147235698442 1.8097597885017267 1.9528195629507552 ] "source-std-uncert-value" [ 0.000640820430499103 0.0006131472880571611 0.0008109360224369668 0.0005040304102768035 0.0005245647938137999 0.0021990728997329074 0.004618258730797492 0.007351192997519658 0.010412933532782644 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.178511346336469e-20 1.135207690618678e-20 5.993708238307931e-20 9.45319584249256e-20 1.779129568378359e-19 2.270170477056078e-19 2.622946957280973e-19 2.899554846290248e-19 3.128761874177792e-19 ] } "core-energy-isotropic" { "source-value" [ -0.349115469633701 0.169697095467366 0.47318299095288086 0.6885096605670926 1.2073222256670322 1.5108081211543127 1.7261347907688753 1.8931551314548831 2.0296206862546886 ] "source-std-uncert-value" [ 0.000650073417312997 0.000650073417038855 0.0006500734177137069 0.0006500734153851218 0.000650073417500923 0.0006500734168312111 0.0006500734172604178 0.000650073417324894 0.0006500734173405508 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.593446480150522e-20 2.718847212154811e-20 7.58122731710939e-20 1.103114090443867e-19 1.934343459672594e-19 2.420581470170881e-19 2.765572828904371e-19 3.033168916154212e-19 3.251810839400307e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.37416057502353933 0.1475971387052554 0.4528058356985905 0.6693548524337206 1.1911125661684518 1.496321263164461 1.7128702798995248 1.8808387466746275 2.0180789768957825 ] "source-std-uncert-value" [ 0.00012036992152664002 0.00012036992674677761 0.00012036992390380359 0.00012036992455907567 0.00012036992446180161 0.00012036992275493319 0.00012036992453296696 0.00012036992393537704 0.00012036992352048155 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.994713306667187e-20 2.364766868788172e-20 7.254749296951248e-20 1.072424704423825e-19 1.908372721978872e-19 2.397370964799464e-19 2.744320739528058e-19 3.013435892243933e-19 3.233318982349048e-19 ] } }