{ "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" 2.865948021411896 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.865948021411896e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.43966963105914 2.37195136545388 2.38265324775032 2.36896245782022 2.34654036526005 2.35479162760493 2.34706465461495 2.36546379278223 2.29149819907756 2.32524782944482 2.31074109329731 2.37783675062072 2.25802376199585 2.27596338655451 2.28569449128164 2.30183631720883 2.30673441127243 2.31387086136294 2.31179520230894 2.31730511596334 2.31093926206804 2.30964585384358 2.45578199127573 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43966963105914e-10 2.3719513654538805e-10 2.38265324775032e-10 2.3689624578202203e-10 2.3465403652600497e-10 2.35479162760493e-10 2.34706465461495e-10 2.36546379278223e-10 2.29149819907756e-10 2.32524782944482e-10 2.3107410932973102e-10 2.37783675062072e-10 2.2580237619958502e-10 2.2759633865545103e-10 2.2856944912816401e-10 2.3018363172088303e-10 2.30673441127243e-10 2.3138708613629403e-10 2.31179520230894e-10 2.31730511596334e-10 2.31093926206804e-10 2.30964585384358e-10 2.45578199127573e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013162618643808794 0.94542516073671 0.9871451727195008 1.0592335248299396 1.089747086450734 1.2177559375934492 1.2496854316013184 1.1549467528744668 1.3089021055533636 1.3213282487965603 1.35054808856259 1.2192568980428542 1.2983257858092272 1.2261323834271147 1.2684862155304655 1.2167050795358088 1.1634803090734118 1.0786867536459963 0.9671713300899416 0.8820188676401941 0.8133078771426479 0.7411259248663633 0.014891803041762993 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013162618643808794 0.94542516073671 0.9871451727195008 1.0592335248299396 1.089747086450734 1.2177559375934492 1.2496854316013184 1.1549467528744668 1.3089021055533636 1.3213282487965603 1.35054808856259 1.2192568980428542 1.2983257858092272 1.2261323834271147 1.2684862155304655 1.2167050795358088 1.1634803090734118 1.0786867536459963 0.9671713300899416 0.8820188676401941 0.8133078771426479 0.7411259248663633 0.014891803041762993 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }