{ "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" 2.863645806908607 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863645806908607e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47873089286834 2.2644661665452 2.24281290703003 2.29067929296615 2.27666596090071 2.29426714463151 2.25981534514542 2.27089754284514 2.31386453774004 2.26969583278095 2.26487557941573 2.35899788539059 2.27739567320696 2.29727465151646 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47873089286834e-10 2.2644661665452e-10 2.24281290703003e-10 2.29067929296615e-10 2.27666596090071e-10 2.29426714463151e-10 2.25981534514542e-10 2.27089754284514e-10 2.31386453774004e-10 2.26969583278095e-10 2.26487557941573e-10 2.35899788539059e-10 2.27739567320696e-10 2.29727465151646e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014918055671670923 1.194364074494675 1.185954005362584 1.0700402246365388 1.1886848784887407 1.0763136504659758 1.1417708315493569 1.1349680471859134 1.0958044964844456 1.2937085941632815 1.2874256012011978 1.1146164260334344 1.2477549161790817 1.1491525861017176 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01491805567167092 1.194364074494675 1.185954005362584 1.070040224636539 1.188684878488741 1.076313650465976 1.141770831549357 1.134968047185913 1.095804496484446 1.293708594163282 1.287425601201198 1.114616426033434 1.247754916179082 1.149152586101718 ] } "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" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }