{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6422 9.929133 9.487203 9.166117 8.913783 8.705887 8.529098 8.375306 8.239212 8.117159 8.006519 7.905339 7.812127 7.725721 7.645193 7.569795 7.498911 7.432032 7.368729 7.308639 7.251451 7.196899 7.144749 7.0948 7.060796 7.025007 6.987238 6.947255 6.904782 6.859489 6.810975 6.758746 6.702186 6.64051 6.5727 6.497402 6.412751 6.316092 6.203446 6.068454 5.900003 5.67584 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06422e-09 9.929133e-10 9.487202999999999e-10 9.166117e-10 8.913783000000001e-10 8.705887000000001e-10 8.529097999999999e-10 8.375306000000001e-10 8.239212000000001e-10 8.117158999999999e-10 8.006519000000001e-10 7.905339e-10 7.812127000000001e-10 7.725721e-10 7.645193e-10 7.569795000000001e-10 7.498911e-10 7.432032000000001e-10 7.368729000000001e-10 7.308639000000001e-10 7.251451e-10 7.196899e-10 7.144749e-10 7.0948e-10 7.060796e-10 7.025007e-10 6.987238e-10 6.947255000000001e-10 6.904782e-10 6.859489000000001e-10 6.810975e-10 6.758746000000001e-10 6.702186000000001e-10 6.64051e-10 6.5727e-10 6.497402e-10 6.412751000000001e-10 6.316092e-10 6.203446e-10 6.068454e-10 5.900003e-10 5.675840000000001e-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" [ 0.295322 0.44008 0.553118 0.652908 0.747152 0.837517 0.921466 0.996636 1.06278 1.12084 1.17201 1.21729 1.25753 1.29332 1.32513 1.35326 1.37787 1.39902 1.41676 1.43108 1.44205 1.44973 1.45424 1.45571 1.455 1.45267 1.44836 1.44162 1.4319 1.41848 1.40043 1.3765 1.34494 1.30332 1.24819 1.17448 1.07446 0.935015 0.732851 0.424511 -0.081195 -1.01381 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.731580040078976e-20 7.050858872816641e-20 8.861927281436545e-20 1.0460739331332865e-19 1.1970694665839617e-19 1.3418501569225535e-19 1.4763512820620929e-19 1.596786898647629e-19 1.7027612690538241e-19 1.795783643657472e-19 1.877767021343808e-19 1.950313578733632e-19 2.0147851659546241e-19 2.0721270672130562e-19 2.123092305520704e-19 2.168161533863808e-19 2.207591100501696e-19 2.241477136031616e-19 2.2698997492846084e-19 2.2928429184944638e-19 2.31041879602464e-19 2.322723512472384e-19 2.329949329032192e-19 2.332304528664768e-19 2.3311669832640003e-19 2.327433911737536e-19 2.3205285305018884e-19 2.309729860077696e-19 2.29415670332352e-19 2.272655493072384e-19 2.243736205066944e-19 2.2053961185312e-19 2.154831424378752e-19 2.0881488334210562e-19 1.999820836316352e-19 1.881724397597184e-19 1.721474691984768e-19 1.498059173097312e-19 1.1741567387299008e-19 6.801415994724289e-20 -1.3008873072585602e-20 -1.6243026799332482e-19 ] } }