{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.78109 8.192725 7.828079 7.563145 7.354939 7.1834 7.037528 6.910631 6.798337 6.697628 6.606337 6.522851 6.445941 6.374646 6.3082 6.245988 6.1875 6.132317 6.080084 6.030503 5.983316 5.938304 5.895274 5.85406 5.826002 5.796473 5.765309 5.732318 5.697273 5.659901 5.619871 5.576776 5.530107 5.479217 5.423266 5.361136 5.291289 5.211534 5.118587 5.007203 4.868211 4.68325 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.781090000000001e-10 8.192725e-10 7.828079e-10 7.563144999999999e-10 7.354939e-10 7.1834e-10 7.037528e-10 6.910631e-10 6.798337000000001e-10 6.697628e-10 6.606337000000001e-10 6.522851e-10 6.445941e-10 6.374646e-10 6.3082e-10 6.245988e-10 6.187500000000001e-10 6.132317e-10 6.080084000000001e-10 6.030503000000001e-10 5.983316e-10 5.938304e-10 5.895274e-10 5.85406e-10 5.826002e-10 5.796473e-10 5.765309000000001e-10 5.732318e-10 5.697273e-10 5.659901e-10 5.619871e-10 5.576776e-10 5.530107000000001e-10 5.479217e-10 5.423266e-10 5.361136e-10 5.291289e-10 5.211534000000001e-10 5.118587e-10 5.007203e-10 4.868211e-10 4.68325e-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" [ 0.0308524 1.28555 2.35337 3.20049 3.85651 4.28853 4.56021 4.78355 5.01432 5.27872 5.5826 5.91662 6.26182 6.59562 6.89702 7.15292 7.38191 7.5885 7.77053 7.92513 8.04927 8.14013 8.19555 8.21415 8.2049 8.17421 8.11702 8.02748 7.89899 7.72434 7.49622 7.20799 6.85509 6.43719 5.96108 5.44379 4.9135 4.40119 3.90229 3.25157 1.92425 -1.02527 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.943099397556992e-21 2.05967815486944e-19 3.770514394092096e-19 5.127750253104192e-19 6.178810159881409e-19 6.870982503599424e-19 7.3062618479383675e-19 7.66409197442784e-19 8.033826273209856e-19 8.457441771749377e-19 8.94431120327808e-19 9.479470238157696e-19 1.0032541607657857e-18 1.0567348163680897e-18 1.1050244197190016e-18 1.1460241194452736e-18 1.1827123618849729e-18 1.21581172869408e-18 1.2449761497225025e-18 1.2697458002800706e-18 1.2896352208506817e-18 1.3041925976272703e-18 1.3130718604597441e-18 1.3160519089744322e-18 1.3145698956001921e-18 1.309652815550957e-18 1.3004899674566017e-18 1.2861440779939585e-18 1.2655577105932994e-18 1.2375756959110273e-18 1.2010268428373378e-18 1.1548473060960192e-18 1.0983064931479872e-18 1.0313515321647553e-18 9.550703010718464e-19 8.721913066544833e-19 7.872294826300801e-19 7.051483721698752e-19 6.252157805581632e-19 5.209589434894656e-19 3.0829883625744e-19 -1.642663624007616e-19 ] } }