{ "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" 3.9173715263605122 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.917371526360512e-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" [ 2.64811926871802 2.5207110801198 2.442816525954 2.44701929681645 2.44787978712856 2.46066677779779 2.50316069453992 2.48013972567799 2.46534233039341 2.44334748899811 2.4473205081045 2.50437813081041 2.42598464327042 2.43184671970142 2.46775187210081 2.4799402213634 2.48233410449815 2.49054494718349 2.48525226042972 2.48618458854058 2.47977145208197 2.48675201782359 2.73564520973714 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.64811926871802e-10 2.5207110801198004e-10 2.442816525954e-10 2.44701929681645e-10 2.4478797871285603e-10 2.46066677779779e-10 2.50316069453992e-10 2.48013972567799e-10 2.46534233039341e-10 2.4433474889981105e-10 2.4473205081045003e-10 2.50437813081041e-10 2.4259846432704205e-10 2.4318467197014203e-10 2.46775187210081e-10 2.4799402213634004e-10 2.48233410449815e-10 2.4905449471834903e-10 2.48525226042972e-10 2.4861845885405803e-10 2.47977145208197e-10 2.48675201782359e-10 2.73564520973714e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018953246272948338 1.3262208053925981 1.3797772778750164 1.4434279912286487 1.5161245840909143 1.576555310300398 1.5264380390531107 1.3280672386630072 1.4725869648737628 1.4818336121317703 1.5708098899116922 1.3461691732962708 1.386366133065078 1.3237303011151624 1.2919379807904854 1.1654701167065895 1.1572207770911793 1.059610367391592 0.9666984164636813 0.8850654500584542 0.8191624126876056 0.7424014952355545 0.02144315034223869 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018953246272948338 1.3262208053925981 1.3797772778750164 1.4434279912286487 1.5161245840909143 1.576555310300398 1.5264380390531107 1.3280672386630072 1.4725869648737628 1.4818336121317703 1.5708098899116922 1.3461691732962708 1.386366133065078 1.3237303011151624 1.2919379807904854 1.1654701167065895 1.1572207770911793 1.059610367391592 0.9666984164636813 0.8850654500584542 0.8191624126876056 0.7424014952355545 0.02144315034223869 ] } "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" [ "Pt" "Pt" "Pt" "Pt" ] } "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 ] } }