{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.39526 7.832747 7.484123 7.23083 7.031772 6.867771 6.728308 6.606987 6.499626 6.403343 6.316063 6.236246 6.162715 6.094552 6.031026 5.971547 5.915629 5.86287 5.812933 5.76553 5.720417 5.677382 5.636243 5.59684 5.570015 5.541783 5.511988 5.480446 5.446941 5.411211 5.37294 5.331738 5.28712 5.238466 5.184973 5.125572 5.058794 4.982544 4.893681 4.78719 4.654305 4.47747 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.395260000000001e-10 7.832747000000001e-10 7.484123e-10 7.230830000000001e-10 7.031772000000001e-10 6.867771000000001e-10 6.728308000000001e-10 6.606987e-10 6.499626e-10 6.403343e-10 6.316063e-10 6.236246000000001e-10 6.162715e-10 6.094552e-10 6.031026e-10 5.971547e-10 5.915629000000001e-10 5.86287e-10 5.812933e-10 5.765530000000001e-10 5.720417e-10 5.677382e-10 5.636243000000001e-10 5.59684e-10 5.570015e-10 5.541783e-10 5.511987999999999e-10 5.480446e-10 5.446941e-10 5.411211e-10 5.37294e-10 5.331738e-10 5.28712e-10 5.238466e-10 5.184973000000001e-10 5.125572e-10 5.058794e-10 4.982544e-10 4.893681000000001e-10 4.78719e-10 4.654305e-10 4.4774700000000006e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.0787512 0.690608 1.17102 1.36764 1.46816 1.5548 1.63012 1.69596 1.7537 1.80438 1.84884 1.88775 1.92166 1.95104 1.97628 1.9977 2.01561 2.03024 2.04183 2.05057 2.05662 2.06015 2.0613 2.06075 2.05893 2.05555 2.05028 2.04263 2.03203 2.01768 1.99856 1.97322 1.93969 1.89512 1.83532 1.75381 1.64017 1.47651 1.30808 1.19665 0.923717 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.2617333149994495e-20 1.1064759917374465e-19 1.876180866489216e-19 2.191200833670912e-19 2.352251627593728e-19 2.49106421001984e-19 2.6117401530984964e-19 2.717227461811968e-19 2.80973713989696e-19 2.8909354510391045e-19 2.9621682235998722e-19 3.0245089159152005e-19 3.078838725126528e-19 3.1259106742456325e-19 3.166349612154624e-19 3.20066823537216e-19 3.2293632186506886e-19 3.252803062612992e-19 3.271372289648064e-19 3.285375313313856e-19 3.2950684818696963e-19 3.3007241653411203e-19 3.3025666684550403e-19 3.3016854713136e-19 3.2987695098637443e-19 3.293354152885441e-19 3.284910682093824e-19 3.272654030944704e-19 3.255670958764224e-19 3.232679724255744e-19 3.202046107266048e-19 3.1614469516949763e-19 3.107725969599552e-19 3.036316957610496e-19 2.9405067956866563e-19 2.809913379325248e-19 2.627842028137536e-19 2.3656298023774084e-19 2.095775194136064e-19 1.9172446532803202e-19 1.4799577816355137e-19 ] } }