{ "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 7 ] } "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" [ -0.8293508831054581 -0.34253382748280714 -0.05773843168053738 0.1439306365483637 0.6312674958147908 0.916849777865754 1.1198096899524823 1.2776563275827553 1.407033093789386 ] "source-std-uncert-value" [ 0.0006362266630043513 0.0006251430914665653 0.0006067131806068639 0.0003523948803665461 0.0002742422840933405 0.0002392572712919608 0.00042273740872449263 0.0007885241584057321 0.001501094693759525 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.32876660629883e-19 -5.487996947475406e-20 -9.250716612236234e-21 2.306023027945347e-20 1.011402031598151e-19 1.468955290984601e-19 1.794132919768652e-19 2.04703111433534e-19 2.254315546134085e-19 ] } "core-energy-isotropic" { "source-value" [ -0.6723757780654994 -0.18558246780732301 0.09917336429240664 0.30121084244734053 0.7880041527029821 1.0727599848073628 1.2747974629607595 1.4315099059350995 1.559553295063114 ] "source-std-uncert-value" [ 0.0006399252964731734 0.0006399252978885481 0.0006399252970622159 0.0006399252974290033 0.0006399252974690281 0.0006399252971859845 0.000639925297155066 0.0006399252967052738 0.0006399252973931866 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.077264760884113e-19 -2.973358936009501e-20 1.588932469844639e-20 4.825929736765844e-20 1.262521840955686e-19 1.718750981548551e-19 2.042450708238209e-19 2.293531722628754e-19 2.498679848827829e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.7001047780100456 -0.21032979337613894 0.0761702064208742 0.2794451912493784 0.769220175873676 1.055720175675734 1.2589951605025806 1.4166674882288652 1.5454951603034357 ] "source-std-uncert-value" [ 0.00026134347872946496 0.0002613434855502647 0.00026134348355253187 0.0002613434811088211 0.00026134347996039834 0.0002613434845130986 0.0002613434834043714 0.0002613434803920287 0.00026134348127318546 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.121691516679452e-19 -3.369854803812978e-20 1.220381249344814e-20 4.477205559034153e-20 1.232426592186174e-19 1.691450197510036e-19 2.017132628476314e-19 2.269751547787758e-19 2.476156233798249e-19 ] } }