{ "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" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" ] } "a" { "source-value" [ 9.67331 9.025162 8.623465 8.331612 8.10225 7.913282 7.752588 7.612797 7.489093 7.378152 7.277585 7.185616 7.100891 7.022351 6.949155 6.880621 6.81619 6.7554 6.69786 6.643241 6.59126 6.541674 6.494272 6.44887 6.402971 6.355671 6.306884 6.256511 6.204447 6.150574 6.094761 6.036865 5.976722 5.914152 5.848951 5.780888 5.709699 5.635085 5.556697 5.474135 5.386928 5.294523 5.196261 5.091348 4.978818 4.857479 4.725832 4.581962 4.423366 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.673310000000001e-10 9.025162e-10 8.623464999999999e-10 8.331612e-10 8.10225e-10 7.913282e-10 7.752588000000001e-10 7.612797e-10 7.489093e-10 7.378152000000001e-10 7.277585e-10 7.185615999999999e-10 7.100891e-10 7.022350999999999e-10 6.949155e-10 6.880620999999999e-10 6.81619e-10 6.7554e-10 6.697860000000001e-10 6.643241e-10 6.59126e-10 6.541674e-10 6.494271999999999e-10 6.44887e-10 6.402971000000001e-10 6.355671e-10 6.306884e-10 6.256510999999999e-10 6.204447e-10 6.150574e-10 6.094761e-10 6.036865e-10 5.976721999999999e-10 5.914152e-10 5.848951e-10 5.780888e-10 5.709699e-10 5.635085e-10 5.556697e-10 5.474135000000001e-10 5.386928e-10 5.294523e-10 5.196261e-10 5.091348000000001e-10 4.978818000000001e-10 4.857479e-10 4.725832e-10 4.581962e-10 4.423366e-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" [ 0.28873 0.432789 0.5594 0.675441 0.783908 0.885515 0.981367 1.07147 1.1561 1.23544 1.30966 1.3789 1.44298 1.50187 1.55574 1.60451 1.6479 1.68582 1.71817 1.74484 1.76573 1.78072 1.78995 1.79307 1.78955 1.77779 1.7556 1.72041 1.66854 1.5955 1.49544 1.36075 1.18143 0.944334 0.631548 0.218913 -0.326437 -1.05132 -2.02162 -3.33163 -5.12157 -7.60204 -11.1007 -16.1386 -23.576 -34.8917 -52.7508 -82.2451 -133.797 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.6259645953481994e-20 6.93404423252226e-20 8.962576090595999e-20 1.0821757878455939e-19 1.255959080805672e-19 1.41875144205651e-19 1.5723232767786778e-19 1.7166841980319798e-19 1.8522764065673997e-19 1.97939310070896e-19 2.09830665048444e-19 2.2092413606225997e-19 2.31190883932932e-19 2.4062610213055797e-19 2.4925702765791597e-19 2.57070843101934e-19 2.6402268751685998e-19 2.70098141312988e-19 2.75281182723978e-19 2.79554187806856e-19 2.82901134795282e-19 2.85302797569648e-19 2.8678160660282995e-19 2.8728148571263795e-19 2.8671751953747e-19 2.84833359815886e-19 2.8127812986504e-19 2.7564007028999397e-19 2.6732958008943597e-19 2.5562728195469996e-19 2.39595902554896e-19 2.1801618547154997e-19 1.8928595407066198e-19 1.5129898694917558e-19 1.011851448849432e-19 3.50737293478842e-20 -5.2300973387305795e-20 -1.6844003388568798e-19 -3.2389923268270797e-19 -5.33785973913342e-19 -8.20565978339538e-19 -1.2179810858733359e-18 -1.7785282161043797e-18 -2.5856887825472398e-18 -3.7772916323184e-18 -5.59026664605378e-18 -8.45160991848072e-18 -1.3177117748099337e-17 -2.1436642709929797e-17 ] } }