{ "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" 3.187376655638218 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.187376655638218e-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" [ -0.5061472586266563 -0.08521716313699856 0.16104758914429496 0.33581391105689173 0.757246598133022 1.0043403745878328 1.1783528554287002 1.316798193943974 1.4298354121107528 ] "source-std-uncert-value" [ 0.004349989788623821 0.004333781251928488 0.004306802159934237 0.00426910521303629 0.004012930837390631 0.003594986104493228 0.003129132243723121 0.0023430578850480543 0.0015492787332186495 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -8.109373111347837e-20 -1.365329475938652e-20 2.580266842890214e-20 5.380332016675061e-20 1.213242805704716e-19 1.609130680747433e-19 1.887929411575043e-19 2.109743298030435e-19 2.290848887749609e-19 ] } "core-energy-isotropic" { "source-value" [ -0.34808892363250343 0.07280746093674417 0.3190160626006442 0.49370384550887414 0.9146002300789503 1.1608088317409517 1.3354966146484912 1.4709949858779914 1.5817052163114678 ] "source-std-uncert-value" [ 0.004355396149188619 0.004355396149359657 0.004355396148739344 0.00435539615091092 0.004355396148826644 0.004355396149125551 0.004355396148583186 0.004355396149434564 0.004355396148504791 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.576999399982073e-20 1.166504126937193e-20 5.111200813694334e-20 7.91000765390264e-20 1.465351118083518e-19 1.85982078675619e-19 2.139701470775915e-19 2.356793795104878e-19 2.534171139450149e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.47531778929843777 -0.039657352576008366 0.21518766595383113 0.39600308414604934 0.8316635208697404 1.0865085394004976 1.267323957593429 1.4075752920054259 1.522168976123604 ] "source-std-uncert-value" [ 0.00024101279767215823 0.00024101279814194845 0.0002410127983615757 0.00024101279770383764 0.0002410127984872268 0.00024101279901180673 0.00024101279784816354 0.00024101279848774012 0.00024101279855434827 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.615430557384922e-20 -6.353808366358031e-21 3.447686503162255e-20 6.34466888410736e-20 1.332471860487669e-19 1.740778594468946e-19 2.030476832564599e-19 2.25518424344682e-19 2.438783566544942e-19 ] } }