{ "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 3 ] } "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" [ -0.534418414299175 -0.08378790901837968 0.17980184683812733 0.3668925352033571 0.8180622249500585 1.082608612170362 1.2706717931818632 1.417122091932071 1.537342885967626 ] "source-std-uncert-value" [ 0.00037034354302979043 0.0003818236745017924 0.000336827743322118 0.0003106124153331177 0.00024387813624501123 0.000595832110884816 0.0006348208745220356 0.001171436869161998 0.001710386538064078 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -8.562326961694697e-20 -1.342430300409658e-20 2.880743177540943e-20 5.878266470918411e-20 1.310680181973036e-19 1.734530222186522e-19 2.035840656518862e-19 2.270479903218764e-19 2.463094850343456e-19 ] } "core-energy-isotropic" { "source-value" [ -0.3095267420513197 0.1410404619114371 0.4046053802855475 0.5916076658754599 1.0421748698382214 1.3057397882113755 1.4927420738010246 1.6377923153917526 1.7563069921742434 ] "source-std-uncert-value" [ 0.0003676389290659157 0.0003676389310073712 0.00036763892875841343 0.0003676389294044626 0.00036763892931782055 0.00036763892974589355 0.00036763892921348566 0.0003676389294040903 0.0003676389295689717 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -4.959165137127696e-20 2.259717325230715e-20 6.482492862841884e-20 9.478599787609409e-20 1.66974822499679e-19 2.092025778756374e-19 2.391636471232705e-19 2.624032579065424e-19 2.813914024992394e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.3286911927429892 0.12433765426731717 0.3893425415147653 0.5773665012777143 1.0303953482889887 1.2954002355364238 1.4834241953005887 1.6292669089480338 1.74842908254533 ] "source-std-uncert-value" [ 0.000304164484533212 0.00030416448614643284 0.0003041644865409683 0.0003041644873952801 0.00030416448778163534 0.0003041644867066655 0.0003041644862353764 0.00030416448874500817 0.00030416448637929995 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.266213488144076e-20 1.992108843934659e-20 6.237955226371318e-20 9.250431176014849e-20 1.650875350810909e-19 2.075459989054555e-19 2.376707584020855e-19 2.610373372065945e-19 2.801292222260185e-19 ] } }