{ "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" [ 1 1 2 ] } "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" [ -0.5565486426650689 -0.12705182186852537 0.12424471395260384 0.30260218607814926 0.7328503130626697 0.9852734198115415 1.1649623466607757 1.304697202484524 1.4199965923304292 ] "source-std-uncert-value" [ 0.00011572821460603952 0.00013783371052998426 0.00017498457615857508 0.00022686949464262006 0.0005604748382778192 0.001017823693872885 0.001465415135601831 0.001753520163704251 0.00267114972534401 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -8.916892309623888e-20 -2.035594603048815e-20 1.990619775928756e-20 4.848221519317308e-20 1.174155647808594e-19 1.578582051323324e-19 1.866475451309703e-19 2.090355372265871e-19 2.275085360591437e-19 ] } "core-energy-isotropic" { "source-value" [ -0.2926687385299769 0.13677490127106245 0.3879833267276277 0.5662185410738099 0.995662180874594 1.2468706063313533 1.4251058206763996 1.5633557934989413 1.6763142461322078 ] "source-std-uncert-value" [ 0.00010843723528357442 0.00010843723618058445 0.00010843723560081985 0.00010843723663966838 0.00010843723576745513 0.00010843723601416697 0.00010843723614762689 0.00010843723592685739 0.00010843723629767014 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -4.689070143749844e-20 2.191375509341532e-20 6.216178204645927e-20 9.071821162460274e-20 1.595226681554756e-19 1.997706951085506e-19 2.283271246865121e-19 2.504772122972533e-19 2.685751516394348e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.3058014544444927 0.12567818382493667 0.3780775920330525 0.5571578220880311 0.9886374603550807 1.2410368685655435 1.420117098621878 1.5590225165523635 1.6725165068316095 ] "source-std-uncert-value" [ 0.0008010230634595823 0.0008010230630721832 0.0008010230630225473 0.0008010230619853826 0.0008010230639832215 0.0008010230630026527 0.0008010230630981332 0.0008010230626712873 0.0008010230627818855 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -4.899479449541816e-20 2.013586495278703e-20 6.057470837943413e-20 8.926652439997724e-20 1.583971838478012e-19 1.988360272748243e-19 2.275278432955847e-19 2.497829447900075e-19 2.679666867224906e-19 ] } }