{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 13.1547 12.273286 11.727022 11.330131 11.018223 10.761246 10.542719 10.352619 10.184394 10.033526 9.896765 9.771697 9.65648 9.549674 9.450135 9.356935 9.269317 9.186648 9.1084 9.034124 8.963435 8.896003 8.831542 8.7698 8.727768 8.68353 8.636844 8.587421 8.534921 8.478935 8.418967 8.354408 8.284494 8.208257 8.124439 8.031363 7.926727 7.807248 7.668007 7.501146 7.292925 7.01584 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.31547e-09 1.2273286000000001e-09 1.1727022e-09 1.1330131e-09 1.1018223000000001e-09 1.0761246e-09 1.0542719000000001e-09 1.0352619000000002e-09 1.0184394e-09 1.0033526e-09 9.896765000000002e-10 9.771697e-10 9.65648e-10 9.549674e-10 9.450135e-10 9.356935e-10 9.269316999999999e-10 9.186648e-10 9.1084e-10 9.034124e-10 8.963435000000001e-10 8.896003000000001e-10 8.831542000000001e-10 8.7698e-10 8.727768e-10 8.683529999999999e-10 8.636844e-10 8.587421000000001e-10 8.534921000000001e-10 8.478935e-10 8.418967e-10 8.354408e-10 8.284494000000001e-10 8.208257e-10 8.124439e-10 8.031363000000001e-10 7.926726999999999e-10 7.807248e-10 7.668007000000001e-10 7.501146e-10 7.292925e-10 7.01584e-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" [ 0.363156 0.462382 0.531759 0.585152 0.62837 0.664445 0.695165 0.72167 0.744736 0.764913 0.782611 0.798141 0.811748 0.823628 0.833941 0.84282 0.850379 0.856713 0.861905 0.866027 0.869143 0.87131 0.872578 0.872991 0.872791 0.872132 0.870911 0.868993 0.86621 0.862338 0.857084 0.850056 0.840713 0.828299 0.811727 0.789378 0.75875 0.715782 0.653451 0.55856 0.40323 0.117151 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.818400576969039e-20 7.408176363821879e-20 8.51971844719206e-20 9.375168617383679e-20 1.0067597315065799e-19 1.0645582535781299e-19 1.11377711977461e-19 1.15624281145878e-19 1.193198617698624e-19 1.2255257356428418e-19 1.253881057711374e-19 1.2787628608373938e-19 1.300563678296232e-19 1.3195975367081519e-19 1.336120784334594e-19 1.3503465106678799e-19 1.362457363844286e-19 1.3726055506440417e-19 1.38092405172777e-19 1.387528223813118e-19 1.392520606204662e-19 1.39599252297054e-19 1.398024082942452e-19 1.3986857818922938e-19 1.398365346565494e-19 1.397309512163688e-19 1.3953532544935738e-19 1.392280279709562e-19 1.38782142213714e-19 1.381617794210292e-19 1.3731999581752558e-19 1.361939860791504e-19 1.346970724500042e-19 1.327081303765566e-19 1.300530032586918e-19 1.264722986993652e-19 1.2156515210475e-19 1.146809195437788e-19 1.046943923663934e-19 8.949117806870398e-20 6.4604568412782e-20 1.87696594849734e-20 ] } }