{ "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" [ 5.818400529032447e-20 7.408176302787456e-20 8.519718376999872e-20 9.375168540143616e-20 1.006759723212096e-19 1.064558244807456e-19 1.113777110598432e-19 1.156242801932736e-19 1.1931986078681089e-19 1.2255257255459904e-19 1.2538810473809089e-19 1.2787628503019328e-19 1.3005636675811586e-19 1.3195975258362626e-19 1.3361207733265729e-19 1.350346499542656e-19 1.3624573526192833e-19 1.3726055393354303e-19 1.3809240403506242e-19 1.3875282123815616e-19 1.3925205947319745e-19 1.395992511469248e-19 1.3980240714244223e-19 1.398685770368813e-19 1.3983653350446528e-19 1.3973095006515458e-19 1.395353242997549e-19 1.3922802682388545e-19 1.387821410703168e-19 1.3816177828274305e-19 1.3731999468617473e-19 1.361939849570765e-19 1.3469707134026305e-19 1.3270812928320193e-19 1.3005300218721216e-19 1.2647229765738625e-19 1.215651511032e-19 1.1468091859894658e-19 1.0469439150383809e-19 8.94911773314048e-20 6.46045678805184e-20 1.876965933033408e-20 ] } }