{ "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" 3.520013511180878 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520013511180878e-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" [ 2.46558056531417 2.18808531370407 2.15795842383895 2.15584798554699 2.28717320919585 2.26927453802738 2.13985331765081 2.24880586887552 2.18233957907073 2.20831271516559 2.19644299790606 2.26246353998783 2.20880679474303 2.22442503848285 2.21423227499723 2.23955157099368 2.2547610830802 2.16710777365409 2.26246922392542 2.23838081686706 2.19461623463362 2.19108281947716 2.47854843619353 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46558056531417e-10 2.18808531370407e-10 2.15795842383895e-10 2.15584798554699e-10 2.2871732091958503e-10 2.2692745380273803e-10 2.13985331765081e-10 2.24880586887552e-10 2.1823395790707298e-10 2.2083127151655903e-10 2.1964429979060598e-10 2.26246353998783e-10 2.20880679474303e-10 2.22442503848285e-10 2.21423227499723e-10 2.23955157099368e-10 2.2547610830802e-10 2.16710777365409e-10 2.2624692239254199e-10 2.23838081686706e-10 2.1946162346336202e-10 2.1910828194771602e-10 2.4785484361935305e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018046687865143 1.1587729348643614 1.2103305947669447 1.2666534532078024 1.3224494950117947 1.3777792531995119 1.4254541687285907 1.376005978942857 1.473520268925184 1.472772138020416 1.4885480414559522 1.3795588045171414 1.366820947968225 1.2979397093605842 1.2877241045520287 1.1837918496052564 1.1184649296816118 1.0324729589477417 0.9177912845558729 0.8274243331551625 0.7618143773843733 0.6847967789439386 0.02040930527515811 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018046687865143 1.1587729348643614 1.2103305947669447 1.2666534532078024 1.3224494950117947 1.3777792531995119 1.4254541687285907 1.376005978942857 1.473520268925184 1.472772138020416 1.4885480414559522 1.3795588045171414 1.366820947968225 1.2979397093605842 1.2877241045520287 1.1837918496052564 1.1184649296816118 1.0324729589477417 0.9177912845558729 0.8274243331551625 0.7618143773843733 0.6847967789439386 0.02040930527515811 ] } "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" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }