{ "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" 3.16519995033741 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.16519995033741e-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" [ -0.7839847666056975 -0.26519096093640515 0.03832246996778588 0.2537096194649697 0.7729349566018978 1.0774546486349292 1.2941438511953443 1.4626841186676274 1.6011969084946636 ] "source-std-uncert-value" [ 0.0004167525219605945 0.00040716929099688195 0.00039121172665544727 0.00036890312478899014 0.00027457984550884886 0.0003209714730017305 0.000710394988902082 0.0007517528734038699 0.0012197287591399649 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.256082074467592e-19 -4.248827611603151e-20 6.139936593955326e-21 4.06487624127806e-20 1.238378327069365e-19 1.726272662237564e-19 2.073447039419953e-19 2.343478317852156e-19 2.565400273223186e-19 ] } "core-energy-isotropic" { "source-value" [ -0.685077098015121 -0.1663189066272167 0.13713518227754673 0.35243928476156017 0.871197476149209 1.1746515650515046 1.3899556675343692 1.5569585037973563 1.6934097564401323 ] "source-std-uncert-value" [ 0.00041994834140018434 0.0004199483425062634 0.00041994834165031444 0.00041994834153549017 0.00041994834178820544 0.00041994834163669844 0.0004199483422928061 0.0004199483422183048 0.0004199483418500967 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.097614518928355e-19 -2.664722659905544e-20 2.197147847444163e-20 5.64669986948644e-20 1.395812239886035e-19 1.881999290617052e-19 2.226954492819438e-19 2.494522534891724e-19 2.713141543556011e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.7137102163625061 -0.19181864261554082 0.1134683574648655 0.3300729311309706 0.8519645048791264 1.157251504964734 1.373856078625121 1.5418676386994061 1.6791430787100898 ] "source-std-uncert-value" [ 0.0002872942364730404 0.00028729423199942337 0.00028729423398288976 0.0002872942376160917 0.0002872942336347265 0.00028729423405332073 0.00028729423436960896 0.0002872942347228545 0.000287294235711763 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.143489832103092e-19 -3.073273471642161e-20 1.81796351028567e-20 5.288351377739322e-20 1.364997622714715e-19 1.854121320915832e-19 2.201160107652036e-19 2.470344303444943e-19 2.690283805852129e-19 ] } }