{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.12627 6.648784 6.352858 6.137851 5.968882 5.829671 5.711289 5.608306 5.517174 5.435445 5.361358 5.293605 5.231189 5.173329 5.119406 5.068917 5.021452 4.976668 4.934279 4.894041 4.855747 4.819218 4.784297 4.75085 4.72808 4.704115 4.678824 4.65205 4.623609 4.59328 4.560794 4.52582 4.487946 4.446646 4.401239 4.350818 4.294134 4.229408 4.153978 4.063584 3.950785 3.80068 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.12627e-10 6.648784e-10 6.352858000000001e-10 6.137851000000001e-10 5.968882e-10 5.829671e-10 5.711289e-10 5.608306e-10 5.517174e-10 5.435445e-10 5.361358e-10 5.293605000000001e-10 5.231189e-10 5.173329e-10 5.119406e-10 5.068917e-10 5.021452e-10 4.976668e-10 4.934279000000001e-10 4.894040999999999e-10 4.855747000000001e-10 4.819218000000001e-10 4.784297e-10 4.75085e-10 4.72808e-10 4.704115e-10 4.678824e-10 4.65205e-10 4.623609e-10 4.5932800000000004e-10 4.5607939999999995e-10 4.5258200000000007e-10 4.4879460000000003e-10 4.4466460000000006e-10 4.4012390000000003e-10 4.3508180000000007e-10 4.2941339999999997e-10 4.2294080000000004e-10 4.1539780000000006e-10 4.063584e-10 3.9507850000000003e-10 3.80068e-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" [ -0.29552 -0.0980728 0.0525247 0.174046 0.275543 0.362401 0.438169 0.505376 0.565934 0.621379 0.673017 0.722026 0.769549 0.816784 0.865107 0.916262 0.972745 1.03868 1.12253 1.25116 1.96633 2.12697 2.18253 2.19684 2.19151 2.17607 2.15096 2.11619 2.07124 2.0151 1.94617 1.86212 1.75966 1.63418 1.47913 1.28482 1.03637 0.709641 0.262518 -0.385923 -1.41385 -3.30505 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -4.7347523497881606e-20 -1.5712994729639426e-20 8.415384635453376e-21 2.788524321437568e-20 4.414685526250944e-20 5.806304095545408e-20 7.020241277593152e-20 8.09701611913421e-20 9.067262237158273e-20 9.955589064560832e-20 1.0782921028009536e-19 1.1568131768097408e-19 1.2329534163600192e-19 1.3086322290435072e-19 1.3860542098904257e-19 1.4680135549274496e-19 1.558509297000096e-19 1.6641488124925442e-19 1.798491322146624e-19 2.0045793008801283e-19 3.1504079547776643e-19 3.4077816071429764e-19 3.496798540194624e-19 3.519725687638272e-19 3.5111860862494085e-19 3.4864484792242566e-19 3.446217824275968e-19 3.390510143170752e-19 3.318492304065792e-19 3.22854610857408e-19 3.1181080741023363e-19 2.983445129124096e-19 2.8192861125569282e-19 2.618244990178944e-19 2.369827505123904e-19 2.0585085659362562e-19 1.6604477844984962e-19 1.1369702193611328e-19 4.206002021391744e-20 -6.183168080289984e-20 -2.26523741531808e-19 -5.295273840575041e-19 ] } }