{ "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" 3.159998923540115 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.159998923540115e-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 4 ] } "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" [ -0.6910245622686537 -0.2145323230701398 0.06426640072462975 0.26215004138285525 0.7395844030444739 1.0199216556780781 1.219894343422827 1.3760382088847012 1.5045806255423826 ] "source-std-uncert-value" [ 0.00013432713054463243 0.00016044821237368395 0.00020453736351196312 0.0002667335023192704 0.0006912171356839287 0.0013748209315155363 0.002278457561567427 0.003352185995954614 0.004537739292053815 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.107143407186915e-19 -3.437186752607171e-20 1.029661255922824e-20 4.200106709057437e-20 1.184944849428695e-19 1.63409464523801e-19 1.954486212980825e-19 2.204656265766279e-19 2.410603922213109e-19 ] } "core-energy-isotropic" { "source-value" [ -0.48798393845405563 -0.01155526464173462 0.2671376438054147 0.46487340916988373 0.9413020829816383 1.2199949914317472 1.417730756794995 1.571106532104995 1.6964236652434919 ] "source-std-uncert-value" [ 0.00012571711434559375 0.0001257171130114866 0.0001257171136859511 0.00012571711394760872 0.0001257171144045871 0.00012571711331354067 0.00012571711348929862 0.000125717114120714 0.00012571711335341567 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.818364639583819e-20 -1.851357500867359e-21 4.280016909668502e-20 7.44809313939909e-20 1.50813220288871e-19 1.954647468868975e-19 2.271455091840077e-19 2.517190175263394e-19 2.71797035781776e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.48315022478681957 -0.007332949462569793 0.27100231379798423 0.46848432586260447 0.944301601187824 1.2226368644475716 1.4201188765127921 1.573297825473087 1.6984541397726778 ] "source-std-uncert-value" [ 5.373274868723719e-05 5.3732748793128644e-05 5.373274888045338e-05 5.373274872900429e-05 5.373274847901169e-05 5.373274871251805e-05 5.373274867153145e-05 5.37327484573234e-05 5.373274853925605e-05 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.740920008652899e-20 -1.174868028723218e-21 4.341935749270661e-20 7.505946402923067e-20 1.512937960871918e-19 1.958880216084924e-19 2.275281281451127e-19 2.52070101429599e-19 2.721223536664354e-19 ] } }