{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 3.166686400771141 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.166686400771141e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.52655541440634 2.39570959833272 2.36069370295975 2.40051857443745 2.40319826779811 2.48174740315275 2.39051094267869 2.43577189161503 2.37920492123453 2.41906174794653 2.35362630498209 2.39773126281019 2.3921854572287 2.41919809585001 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52655541440634e-10 2.39570959833272e-10 2.36069370295975e-10 2.40051857443745e-10 2.40319826779811e-10 2.48174740315275e-10 2.39051094267869e-10 2.43577189161503e-10 2.37920492123453e-10 2.41906174794653e-10 2.35362630498209e-10 2.39773126281019e-10 2.3921854572287e-10 2.41919809585001e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01956147686164746 1.9930359762192729 2.268227560184244 2.2514573701973397 2.1424246146615697 1.9966211239905345 1.9306087927603832 2.081551540516077 2.0895235270786574 2.3204627265086186 2.3450142313232 2.1166979228254323 2.286447814625238 2.234933752538224 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01956147686164746 1.993035976219273 2.268227560184244 2.25145737019734 2.14242461466157 1.996621123990534 1.930608792760383 2.081551540516077 2.089523527078657 2.320462726508619 2.3450142313232 2.116697922825432 2.286447814625238 2.234933752538224 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "tilt-angle" { "source-value" [ 0.0 23.07391806563098 34.04773236999154 38.572650822227786 44.41530859719298 52.20027756457278 62.96430821058772 69.97282751604145 78.46304096718453 88.83061719438597 91.16938280561406 101.5369590328155 110.02717248395858 117.03569178941231 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4027158415806617 0.5942450326942046 0.6732197580699728 0.7751933733103614 0.9110667139567219 1.098934489515255 1.221256227085009 1.369438406004566 1.550386746620723 1.591205906969071 1.772154247585227 1.920336426504785 2.042658164074539 ] } "tilt-axis" { "source-value" [ 1 1 2 ] } }