{ "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" 3.5200000256299973 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520000025629997e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 0.000343060832309686 2.12927654842722 2.1394646607451 2.20016943503192 2.17759953279867 2.26409417348281 2.29949582775758 2.2283683649364 2.2539013339709 2.20783541459243 2.2155272458109 2.23364821738466 2.19643320673706 2.14148571989 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.43060832309686e-14 2.12927654842722e-10 2.1394646607451e-10 2.20016943503192e-10 2.17759953279867e-10 2.26409417348281e-10 2.29949582775758e-10 2.2283683649364e-10 2.2539013339709e-10 2.20783541459243e-10 2.2155272458109e-10 2.23364821738466e-10 2.19643320673706e-10 2.14148571989e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02037629267643903 1.0466770376204737 1.280869455690359 1.2763205383208285 1.2288437951390987 1.1108531876431504 0.5737473878880515 1.0091173431533276 1.235229477684983 1.4309164621039925 1.400858065127599 1.3750711069598323 1.3869016011746007 1.3214440860824466 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02037629267643903 1.046677037620474 1.280869455690359 1.276320538320828 1.228843795139099 1.11085318764315 0.5737473878880515 1.009117343153328 1.235229477684983 1.430916462103992 1.400858065127599 1.375071106959832 1.386901601174601 1.321444086082447 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }