{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 10.1891 9.506398 9.083287 8.775874 8.534284 8.335242 8.165981 8.018738 7.888439 7.771583 7.665655 7.568783 7.479541 7.396814 7.319716 7.247528 7.179663 7.115631 7.055024 6.997493 6.942741 6.890511 6.840582 6.79276 6.760203 6.725939 6.689777 6.651496 6.610832 6.567467 6.521019 6.471013 6.416861 6.35781 6.292888 6.220795 6.139748 6.047204 5.939354 5.810109 5.64883 5.43421 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01891e-09 9.506398e-10 9.083287000000001e-10 8.775874000000001e-10 8.534284e-10 8.335241999999999e-10 8.165981000000001e-10 8.018738000000001e-10 7.888439e-10 7.771583e-10 7.665655000000001e-10 7.568783000000001e-10 7.479541000000001e-10 7.396814e-10 7.319716e-10 7.247528000000001e-10 7.179663e-10 7.115631e-10 7.055024e-10 6.997493000000001e-10 6.942741e-10 6.890511000000001e-10 6.840582000000001e-10 6.79276e-10 6.760203e-10 6.725939000000001e-10 6.689777000000001e-10 6.651496e-10 6.610832e-10 6.567467e-10 6.521019e-10 6.471013000000001e-10 6.416861e-10 6.35781e-10 6.292887999999999e-10 6.220795e-10 6.139748e-10 6.047204e-10 5.939354e-10 5.810109e-10 5.64883e-10 5.434210000000001e-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" [ 0.0192016 0.0314237 0.088456 0.184772 0.315043 0.471146 0.645358 0.831273 1.02387 1.21935 1.41485 1.6083 1.79823 1.98376 2.16496 2.34383 2.52357 2.6866 2.76689 2.77433 2.77213 2.77347 2.77562 2.77655 2.77603 2.77426 2.77086 2.76541 2.75734 2.74596 2.73033 2.7092 2.68085 2.64285 2.59174 2.52232 2.42658 2.29149 2.09454 1.80121 1.33037 0.486959 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.076435460195328e-21 5.034631747903296e-21 1.4172213516948482e-20 2.960373785784576e-20 5.047545291466945e-20 7.548591061834368e-20 1.0339774996462464e-19 1.3318461661022785e-19 1.6404205767384962e-19 1.95361406257248e-19 2.26683959193888e-19 2.57678065923264e-19 2.8810820648211843e-19 3.178333893278208e-19 3.4686482969671687e-19 3.7552296291296644e-19 4.043204854952256e-19 4.3044077094412802e-19 4.433046470325312e-19 4.444966664384065e-19 4.441441875818305e-19 4.443588792490176e-19 4.447033472224896e-19 4.44852349648224e-19 4.447690364639424e-19 4.444854512020609e-19 4.439407111509888e-19 4.430675248926529e-19 4.417745683596672e-19 4.399512913651969e-19 4.374470893068864e-19 4.340616901071361e-19 4.29519519387168e-19 4.2343124822812804e-19 4.1524252351921927e-19 4.0412021341762565e-19 3.887809744500864e-19 3.6713717047969923e-19 3.355823019330432e-19 2.885856551151168e-19 2.1314877110136961e-19 7.801943250881472e-20 ] } }