{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.06803 5.661449 5.409466 5.226387 5.082509 4.96397 4.863167 4.775477 4.697878 4.628285 4.5652 4.507508 4.454361 4.405093 4.359177 4.316186 4.275769 4.237635 4.20154 4.167278 4.13467 4.103565 4.07383 4.04535 4.025961 4.005555 3.98402 3.961222 3.937005 3.911179 3.883517 3.853737 3.821487 3.78632 3.747657 3.704722 3.656456 3.601342 3.537113 3.460143 3.364095 3.23628 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.06803e-10 5.661449000000001e-10 5.409466e-10 5.226387e-10 5.082509000000001e-10 4.96397e-10 4.863167e-10 4.775477000000001e-10 4.697878e-10 4.6282850000000003e-10 4.5652e-10 4.5075079999999997e-10 4.4543609999999996e-10 4.405093e-10 4.359177e-10 4.316186e-10 4.2757690000000003e-10 4.237635e-10 4.2015399999999997e-10 4.167278e-10 4.13467e-10 4.103565e-10 4.07383e-10 4.04535e-10 4.025961e-10 4.005555e-10 3.98402e-10 3.961222e-10 3.937005e-10 3.9111790000000004e-10 3.883517e-10 3.853737e-10 3.821487e-10 3.78632e-10 3.747657e-10 3.704722e-10 3.656456e-10 3.6013419999999997e-10 3.537113e-10 3.460143e-10 3.364095e-10 3.23628e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.51629 1.81665 2.0555 2.25265 2.41902 2.5614 2.68439 2.79124 2.88441 2.96576 3.03678 3.09864 3.15234 3.19868 3.23835 3.27193 3.29961 3.31942 3.33417 3.34543 3.35352 3.35841 3.36004 3.35923 3.35656 3.3516 3.34381 3.33254 3.31694 3.29589 3.26791 3.23099 3.18234 3.118 3.03215 2.91591 2.75513 2.52574 2.18346 1.63711 0.663914 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.4293644083678596e-19 2.9105941821560997e-19 3.2932740711869995e-19 3.6091431945801e-19 3.87569732117868e-19 4.1038152303275995e-19 4.30086693454326e-19 4.47205950788616e-19 4.621334304875939e-19 4.75167137405184e-19 4.86545795859852e-19 4.96456860517776e-19 5.050605490423559e-19 5.12485035564312e-19 5.188408702713899e-19 5.242209794083619e-19 5.28655804331274e-19 5.31829716243228e-19 5.341929267783779e-19 5.359969776682619e-19 5.37293138565168e-19 5.380766029391939e-19 5.38337757730536e-19 5.3820798142318195e-19 5.37780200261904e-19 5.3698552065144e-19 5.35737425053554e-19 5.339317719870359e-19 5.31432376437996e-19 5.28059794623426e-19 5.23576904401494e-19 5.1766166826876595e-19 5.09867078944356e-19 4.995586744811999e-19 4.8580398807831e-19 4.67180286884694e-19 4.41420490963242e-19 4.0466816115591595e-19 3.49828859327364e-19 2.62293938928774e-19 1.0637074977854759e-19 ] } }