{ "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" 3.567322999238968 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322999238968e-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" [ 2.44144576076571 2.2566095031202 2.2470738659522 2.21720607304508 2.26862960182234 2.29162800077218 2.26836656861756 2.27184803841838 2.24262293638654 2.27281035101413 2.24326778202814 2.3274964104897 2.16878757225036 2.28057724026998 2.25747677779896 2.31020168700259 2.16205696382967 2.23620433901301 2.24187773066863 2.22443786389934 2.26383208198488 2.24216919651213 2.46111861116167 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4414457607657097e-10 2.2566095031202e-10 2.2470738659522e-10 2.2172060730450804e-10 2.2686296018223402e-10 2.2916280007721798e-10 2.26836656861756e-10 2.27184803841838e-10 2.2426229363865404e-10 2.2728103510141301e-10 2.24326778202814e-10 2.3274964104897001e-10 2.1687875722503602e-10 2.28057724026998e-10 2.2574767777989601e-10 2.3102016870025902e-10 2.1620569638296701e-10 2.23620433901301e-10 2.2418777306686303e-10 2.22443786389934e-10 2.2638320819848803e-10 2.2421691965121302e-10 2.46111861116167e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01686618661228595 0.23600430506066322 0.3881849647244008 0.5705852445861537 0.7031287661001224 0.7297966554425906 0.7479394523027432 0.9287353438935999 0.7695138193708457 0.8773943909618201 0.8327589885800617 0.9791166292462764 0.8166561570406253 0.7076673916545639 0.708290738165293 0.6555665207999268 0.5370336580942764 0.4436291615723271 0.20260488774910554 0.06635015992020869 0.027054180872763702 0.0724155629559307 -0.7587015493625071 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01686618661228595 0.23600430506066322 0.3881849647244008 0.5705852445861537 0.7031287661001224 0.7297966554425906 0.7479394523027432 0.9287353438935999 0.7695138193708457 0.8773943909618201 0.8327589885800617 0.9791166292462764 0.8166561570406253 0.7076673916545639 0.708290738165293 0.6555665207999268 0.5370336580942764 0.4436291615723271 0.20260488774910554 0.06635015992020869 0.027054180872763702 0.0724155629559307 -0.7587015493625071 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 1 1 25 9 25 17 53 9 73 7 29 5 1 17 89 13 37 25 41 15 85 113 1 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 14.250032697803595 16.26020470831196 18.924644416051233 22.619864948040426 28.072486935852957 31.890791801845708 36.86989764584402 41.112090439166934 43.60281897270362 46.39718102729638 53.13010235415598 59.48976259388444 61.92751306414704 64.01076641616699 67.38013505195957 71.07535558394876 73.73979529168804 77.31961650818018 79.61114218453038 81.20258929000894 82.3718503314193 90.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.24870998909352293 0.2837941092083279 0.3302973548292537 0.3947911196997616 0.4899573262537284 0.5565993180102228 0.6435011087932845 0.7175413405411447 0.7610127542247299 0.809783572570167 0.9272952180016124 1.038292228493046 1.0808390005411685 1.117198630687125 1.1760052070951352 1.2404989719656432 1.287002217586569 1.3494818844471055 1.3894765523934065 1.417252544255341 1.4376599992432493 1.570796326794897 ] } "tilt-axis" { "source-value" [ 0 0 1 ] } }