{ "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" 3.890355840325356 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.890355840325356e-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" [ 2.69015370579547 2.43675152821164 2.43651050524948 2.43248372821178 2.4230308446305 2.51122700446237 2.4798491631292 2.49562381782667 2.47016821271547 2.46209643096875 2.46126682113577 2.47363884224246 2.45343548267166 2.44352502171852 2.44620974277054 2.47883660030833 2.47594849389146 2.46987975689729 2.48378566878836 2.48743102811905 2.49206107812944 2.48390519097865 2.71823816960391 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.69015370579547e-10 2.43675152821164e-10 2.4365105052494805e-10 2.43248372821178e-10 2.4230308446305e-10 2.51122700446237e-10 2.4798491631292e-10 2.4956238178266704e-10 2.47016821271547e-10 2.46209643096875e-10 2.46126682113577e-10 2.4736388422424603e-10 2.45343548267166e-10 2.44352502171852e-10 2.44620974277054e-10 2.47883660030833e-10 2.47594849389146e-10 2.46987975689729e-10 2.48378566878836e-10 2.48743102811905e-10 2.49206107812944e-10 2.48390519097865e-10 2.71823816960391e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013022517100914288 0.8231118727678084 0.8570425790795951 0.8906684632295816 0.9196612791933668 0.9458296192932389 0.9751424864311852 0.9263348839197945 1.0195813419307733 1.0216794576385229 1.0450660062612298 0.9833981679480701 0.952895124935523 0.8982337541792361 0.8997359971297915 0.8291542769042674 0.789019280083854 0.7209788713326301 0.6451794266033731 0.5876762343723305 0.5418365777291317 0.48975986253729575 0.014733296229820092 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013022517100914288 0.8231118727678084 0.8570425790795951 0.8906684632295816 0.9196612791933668 0.9458296192932389 0.9751424864311852 0.9263348839197945 1.0195813419307733 1.0216794576385229 1.0450660062612298 0.9833981679480701 0.952895124935523 0.8982337541792361 0.8997359971297915 0.8291542769042674 0.789019280083854 0.7209788713326301 0.6451794266033731 0.5876762343723305 0.5418365777291317 0.48975986253729575 0.014733296229820092 ] } "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" [ "Pd" "Pd" "Pd" "Pd" ] } "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 ] } }