{ "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" 4.032082758843899 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082758843899e-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" [ 2.80735886485735 2.58993955691128 2.59190583649402 2.58985807275713 2.57312285731516 2.58882106424398 2.56579042748505 2.59497040136686 2.5776949330489 2.56194147560033 2.57123092792595 2.60720880431013 2.55846036030251 2.56663164572403 2.58270388813504 2.60298443021716 2.59511880465126 2.58141723703086 2.58401033061354 2.59192497166184 2.59008462948271 2.5834703402085 2.81535229800456 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.80735886485735e-10 2.58993955691128e-10 2.59190583649402e-10 2.58985807275713e-10 2.57312285731516e-10 2.5888210642439804e-10 2.56579042748505e-10 2.5949704013668604e-10 2.5776949330489e-10 2.56194147560033e-10 2.5712309279259504e-10 2.60720880431013e-10 2.55846036030251e-10 2.56663164572403e-10 2.5827038881350403e-10 2.60298443021716e-10 2.59511880465126e-10 2.58141723703086e-10 2.58401033061354e-10 2.59192497166184e-10 2.5900846294827104e-10 2.5834703402085004e-10 2.81535229800456e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.010417840876810807 0.46880255763782436 0.477757427566862 0.4886432293825584 0.49281843251744484 0.5136941124111657 0.5240741862501936 0.4763030246939692 0.5166990925155317 0.546112072520747 0.5275657482066967 0.4631890935107561 0.4950241753529764 0.46900826613972 0.475350961883782 0.4307974190110641 0.43028702013438463 0.39320557366394226 0.36261301287009 0.33716310939894717 0.31656064449056365 0.2855274199105732 0.011786441485577556 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.010417840876810807 0.46880255763782436 0.477757427566862 0.4886432293825584 0.49281843251744484 0.5136941124111657 0.5240741862501936 0.4763030246939692 0.5166990925155317 0.546112072520747 0.5275657482066967 0.4631890935107561 0.4950241753529764 0.46900826613972 0.475350961883782 0.4307974190110641 0.43028702013438463 0.39320557366394226 0.36261301287009 0.33716310939894717 0.31656064449056365 0.2855274199105732 0.011786441485577556 ] } "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" [ "Al" "Al" "Al" "Al" ] } "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 ] } }