{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.11707 7.573196 7.236125 6.991225 6.798763 6.640196 6.505355 6.388054 6.284251 6.191158 6.10677 6.029598 5.958503 5.892599 5.831179 5.77367 5.719605 5.668595 5.620312 5.57448 5.530862 5.489253 5.449478 5.41138 5.385444 5.358147 5.329339 5.298843 5.266448 5.231902 5.194899 5.155062 5.111922 5.06488 5.01316 4.955728 4.891162 4.817438 4.73152 4.628558 4.500075 4.3291 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.117070000000001e-10 7.573196e-10 7.236125e-10 6.991225e-10 6.798763e-10 6.640196e-10 6.505355e-10 6.388054000000001e-10 6.284251000000001e-10 6.191158e-10 6.10677e-10 6.029598e-10 5.958503000000001e-10 5.892599e-10 5.831179e-10 5.77367e-10 5.719605e-10 5.668595e-10 5.620312e-10 5.574480000000001e-10 5.530862e-10 5.489253e-10 5.449478e-10 5.41138e-10 5.385443999999999e-10 5.358147e-10 5.329339e-10 5.298843e-10 5.266447999999999e-10 5.231902e-10 5.194899000000001e-10 5.155062e-10 5.111922e-10 5.06488e-10 5.01316e-10 4.955727999999999e-10 4.891162e-10 4.817438e-10 4.73152e-10 4.628558e-10 4.500075e-10 4.3291000000000006e-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" [ 1.25917 1.78842 2.18389 2.5018 2.76564 2.99006 3.18413 3.35401 3.50846 3.64607 3.76914 3.87937 3.97809 4.06596 4.14003 4.20495 4.2612 4.30921 4.34929 4.3817 4.40666 4.42432 4.43485 4.43833 4.43661 4.43088 4.4201 4.40293 4.37807 4.34274 4.29374 4.22671 4.13549 4.01032 3.83862 3.60074 3.26506 2.77978 2.05154 0.90129 -1.05594 -4.79104 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0174127356127359e-19 2.865364712171136e-19 3.498977500398912e-19 4.00832546991744e-19 4.431043749549312e-19 4.790604226789248e-19 5.101538643587904e-19 5.373716407929408e-19 5.621172587011968e-19 5.841648111800257e-19 6.038827988522112e-19 6.215435917432897e-19 6.373602793438273e-19 6.514386053107968e-19 6.633059275410625e-19 6.737072581632961e-19 6.82719501655296e-19 6.904115516117568e-19 6.968330755079232e-19 7.020257299359361e-19 7.0602476278145275e-19 7.088542066937856e-19 7.10541298675488e-19 7.1109885613952635e-19 7.108232817607489e-19 7.099052345570304e-19 7.081780881598079e-19 7.054271509018944e-19 7.014441398225857e-19 6.957836498212992e-19 6.8793298437937915e-19 6.771935944901568e-19 6.625785393552192e-19 6.425240945926657e-19 6.150147220135297e-19 5.769021445579393e-19 5.231202797509249e-19 4.453698526967424e-19 3.2869294246360325e-19 1.4440257665608321e-19 -1.6918023809675524e-19 -7.676092277317632e-19 ] } }