{ "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" 3.163879469037056 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.163879469037056e-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" [ -0.6179548852178034 -0.1301439103111366 0.15525118523626597 0.35778893324149597 0.8461098074013682 1.1324538903805172 1.3362996128706606 1.4950953154980766 1.6255055789189736 ] "source-std-uncert-value" [ 0.0003197232147174332 0.0003357083440932477 0.0003625851423322722 0.00040059116238362277 0.0007126364765767543 0.0011946233662724162 0.0018539606624361062 0.0026706096461682517 0.0036209702937774375 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -9.900728779621166e-20 -2.085135321578947e-20 2.487398213863511e-20 5.732410687433107e-20 1.355617363216712e-19 1.814391162250062e-19 2.140988015764618e-19 2.395406780093876e-19 2.604347056980623e-19 ] } "core-energy-isotropic" { "source-value" [ -0.43320996620112373 0.054560323508812215 0.3398876519550652 0.5423306132199961 1.030100902930236 1.315428231376041 1.5178711926404358 1.6748981527496596 1.8031985210862966 ] "source-std-uncert-value" [ 0.0003144224789092424 0.00031442247920531027 0.0003144224793022765 0.0003144224787750604 0.00031442247851202354 0.0003144224790679122 0.00031442247931905067 0.00031442247833042303 0.00031442247825212884 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.940788854633701e-20 8.741527546929982e-21 5.445600541475299e-20 8.689094364039692e-20 1.650403597337126e-19 2.107548376014638e-19 2.431897758270219e-19 2.683482684665267e-19 2.889042536947821e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.42424345556935134 0.06247694627394148 0.34719012968868745 0.5491973481181694 1.0359177499615853 1.3206309333763266 1.52263815180574 1.6793271235141407 1.8073513352203487 ] "source-std-uncert-value" [ 0.00012624111564960087 0.00012624111515938016 0.0001262411146381246 0.00012624111489722596 0.00012624111471244858 0.0001262411153755449 0.00012624111452578537 0.00012624111492075369 0.00012624111508085142 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.797129516406319e-20 1.000991034837824e-20 5.562599133426447e-20 8.799111586096949e-20 1.659723213734306e-19 2.115884023593161e-19 2.439535268860101e-19 2.690578678136788e-19 2.895696078718744e-19 ] } }