{ "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" 3.620000052452088 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.620000052452088e-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" [ 2.47968052467848 2.32670380209347 2.32670649263313 2.32931707304673 2.33497991677483 2.33878701676265 2.31693628155685 2.39671335909083 2.33362810846928 2.28778995972785 2.31683205053893 2.38901652989621 2.29930198081761 2.30657743191213 2.29567916030543 2.32553480863723 2.30547077333542 2.31197184733045 2.32723026438375 2.3167680366713 2.3237957892997 2.31970821519658 2.52329349603135 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47968052467848e-10 2.32670380209347e-10 2.32670649263313e-10 2.3293170730467303e-10 2.33497991677483e-10 2.33878701676265e-10 2.31693628155685e-10 2.3967133590908303e-10 2.33362810846928e-10 2.2877899597278503e-10 2.3168320505389302e-10 2.38901652989621e-10 2.29930198081761e-10 2.3065774319121301e-10 2.2956791603054302e-10 2.32553480863723e-10 2.30547077333542e-10 2.3119718473304502e-10 2.3272302643837502e-10 2.3167680366713e-10 2.3237957892996998e-10 2.31970821519658e-10 2.52329349603135e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013617062097992448 0.7161390368862801 0.7452020438694883 0.767390110264523 0.782217222221991 0.786308084082664 0.8020063872871981 0.7146205257125745 0.8079363517642029 0.8113770041884882 0.8402262222291297 0.8165497777564873 0.8141661726274629 0.7685280107722875 0.7806925857914517 0.7305344629775787 0.6976269054359976 0.644133113327177 0.5824503017329109 0.5303533873075496 0.48918703402627 0.4415063475936839 0.015405947128322134 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013617062097992448 0.7161390368862801 0.7452020438694883 0.767390110264523 0.782217222221991 0.786308084082664 0.8020063872871981 0.7146205257125745 0.8079363517642029 0.8113770041884882 0.8402262222291297 0.8165497777564873 0.8141661726274629 0.7685280107722875 0.7806925857914517 0.7305344629775787 0.6976269054359976 0.644133113327177 0.5824503017329109 0.5303533873075496 0.48918703402627 0.4415063475936839 0.015405947128322134 ] } "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }