{ "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" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" ] } "a" { "source-value" [ 13.209 12.323954 11.775438 11.376912 11.063719 10.805683 10.586255 10.395372 10.226454 10.074963 9.937639 9.812056 9.696364 9.589118 9.489168 9.395585 9.307605 9.224596 9.146025 9.071443 9.000463 8.932753 8.868026 8.80603 8.763824 8.719404 8.672524 8.622897 8.57018 8.513963 8.453747 8.388921 8.318718 8.242166 8.158001 8.06454 7.959472 7.8395 7.699683 7.532132 7.323051 7.04482 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3209e-09 1.2323954000000002e-09 1.1775438e-09 1.1376912000000002e-09 1.1063719000000002e-09 1.0805683e-09 1.0586255e-09 1.0395372e-09 1.0226454000000002e-09 1.0074963000000001e-09 9.937639e-10 9.812056e-10 9.696364e-10 9.589118e-10 9.489167999999999e-10 9.395585000000002e-10 9.307605000000001e-10 9.224596e-10 9.146025e-10 9.071443000000001e-10 9.000463000000001e-10 8.932753e-10 8.868026000000001e-10 8.80603e-10 8.763824e-10 8.719404000000001e-10 8.672523999999999e-10 8.622897e-10 8.570180000000001e-10 8.513963e-10 8.453747e-10 8.388921e-10 8.318718000000001e-10 8.242165999999999e-10 8.158001e-10 8.06454e-10 7.959472000000001e-10 7.839500000000001e-10 7.699683000000001e-10 7.532132e-10 7.323051e-10 7.044819999999999e-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" [ 0.260736 0.390826 0.505159 0.609948 0.707896 0.799649 0.886206 0.967569 1.044 1.11564 1.18266 1.24518 1.30305 1.35622 1.40487 1.44891 1.48809 1.52233 1.55154 1.57563 1.5945 1.60803 1.61636 1.61918 1.61776 1.61299 1.60391 1.58926 1.56742 1.53605 1.49191 1.4305 1.34529 1.22658 1.05949 0.82041 0.469515 -0.0635248 -0.914288 -2.37217 -5.1507 -11.4784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.177451234009089e-20 6.261722800007809e-20 8.093539395867073e-20 9.772444255037185e-20 1.1341744211578368e-19 1.2811789326460993e-19 1.419858534412685e-19 1.5502164308108354e-19 1.6726723921152e-19 1.787452325229312e-19 1.8948302023553282e-19 1.994998284687744e-19 2.0877162457334403e-19 2.172903976661376e-19 2.250849869263296e-19 2.321409727643328e-19 2.384183007646272e-19 2.439041535142464e-19 2.485841114236032e-19 2.5244375490311043e-19 2.5546706218656e-19 2.576348071545024e-19 2.5896942027962883e-19 2.594212340866944e-19 2.5919372500654084e-19 2.584294867584192e-19 2.5697471038673283e-19 2.546275216372608e-19 2.511283678974336e-19 2.46102339837984e-19 2.390303322337728e-19 2.2919136560544005e-19 2.1553921861960322e-19 1.9651977995408642e-19 1.6974901079713922e-19 1.314441721470528e-19 7.52245956114912e-20 -1.0177794940099586e-20 -1.4648508582779905e-19 -3.8006353145631365e-19 -8.25233112075456e-19 -1.8390424124190723e-18 ] } }