{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1435 7.597855 7.259687 7.013989 6.820901 6.661817 6.526537 6.408854 6.304713 6.211317 6.126655 6.049231 5.977905 5.911786 5.850165 5.79247 5.738229 5.687053 5.638613 5.592631 5.548871 5.507127 5.467222 5.429 5.40298 5.375594 5.346693 5.316097 5.283597 5.248938 5.211815 5.171849 5.128568 5.081373 5.029485 4.971866 4.90709 4.833126 4.746928 4.643632 4.514731 4.3432 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1435e-10 7.597855e-10 7.259687e-10 7.013988999999999e-10 6.820901e-10 6.661817e-10 6.526537000000001e-10 6.408854e-10 6.304713e-10 6.211317e-10 6.126655e-10 6.049231e-10 5.977905e-10 5.911786000000001e-10 5.850165e-10 5.79247e-10 5.738229e-10 5.687052999999999e-10 5.638613000000001e-10 5.592631e-10 5.548871e-10 5.507127e-10 5.467222e-10 5.429000000000001e-10 5.402980000000001e-10 5.375594000000001e-10 5.346693000000001e-10 5.316097e-10 5.283597e-10 5.248938e-10 5.211815e-10 5.171849e-10 5.128567999999999e-10 5.081373e-10 5.029485e-10 4.971866000000001e-10 4.90709e-10 4.833126000000001e-10 4.746928e-10 4.643632e-10 4.5147310000000005e-10 4.3432000000000006e-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 3.89498e-06 0.215258 1.17645 2.24054 2.97206 3.39286 3.63242 3.79263 3.92387 4.03913 4.14052 4.22949 4.30723 4.37474 4.43286 4.48233 4.52375 4.55768 4.5846 4.60494 4.61906 4.62731 4.63 4.6287 4.62442 4.6165 4.60407 4.58605 4.56101 4.52707 4.48173 4.42154 4.3417 4.2353 4.0921 3.89628 3.62225 3.22583 2.62425 1.62889 -0.427186 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 6.240445894483585e-25 3.448813350401664e-20 1.88488068554016e-19 3.5897408059672327e-19 4.761765047614848e-19 5.4359609696474885e-19 5.819778400926337e-19 6.076463117344705e-19 6.286732777058497e-19 6.471399654371905e-19 6.633844341954817e-19 6.776389995907393e-19 6.900943206408383e-19 7.009106150078592e-19 7.102224655279488e-19 7.181484332710465e-19 7.247846488344e-19 7.302208341087745e-19 7.34533893571968e-19 7.377927208186752e-19 7.4005499420724485e-19 7.413767899194048e-19 7.418077754304e-19 7.415994924696961e-19 7.409137608759936e-19 7.3964483699232e-19 7.376533314526657e-19 7.347662091819841e-19 7.307543589235008e-19 7.253165714725057e-19 7.180523026737984e-19 7.084088015932033e-19 6.956170234527361e-19 6.78569864207424e-19 6.556266949975681e-19 6.242528724090624e-19 5.803484264692801e-19 5.168349408675265e-19 4.2045119971344e-19 2.609769475854912e-19 -6.844274219330689e-20 ] } }