{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.7848 10.062173 9.614318 9.288927 9.03321 8.822527 8.643368 8.487514 8.349595 8.225905 8.113782 8.011246 7.916785 7.82922 7.747612 7.671203 7.599369 7.531593 7.467441 7.406546 7.348592 7.293308 7.240459 7.18984 7.138667 7.085933 7.031539 6.975379 6.917332 6.857269 6.795044 6.730495 6.663442 6.593683 6.52099 6.445106 6.365738 6.28255 6.195156 6.103107 6.00588 5.902858 5.793305 5.676337 5.550878 5.415596 5.268823 5.108423 4.931604 4.734618 4.512265 4.257034 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0784800000000002e-09 1.0062173e-09 9.614318e-10 9.288926999999999e-10 9.03321e-10 8.822527e-10 8.643368e-10 8.487513999999999e-10 8.349595000000001e-10 8.225904999999999e-10 8.113782000000001e-10 8.011246e-10 7.916785e-10 7.82922e-10 7.747612000000001e-10 7.671203e-10 7.599369e-10 7.531593e-10 7.467441e-10 7.406546e-10 7.348592e-10 7.293307999999999e-10 7.240459e-10 7.189840000000001e-10 7.138667e-10 7.085933e-10 7.031539000000001e-10 6.975379e-10 6.917332e-10 6.857269e-10 6.795044e-10 6.730495e-10 6.663442e-10 6.593683e-10 6.52099e-10 6.445106000000001e-10 6.365738000000001e-10 6.28255e-10 6.195156e-10 6.103107e-10 6.005880000000001e-10 5.902858e-10 5.793305000000001e-10 5.676337000000001e-10 5.550878e-10 5.415596e-10 5.268823000000001e-10 5.108423000000001e-10 4.931604e-10 4.734618e-10 4.512265e-10 4.2570340000000004e-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" [ 0.379536 0.478361 0.580181 0.683259 0.783141 0.877981 0.965791 1.04172 1.11113 1.17434 1.23167 1.2835 1.33029 1.37252 1.41059 1.44463 1.46983 1.49107 1.50979 1.52531 1.53782 1.54752 1.55455 1.55758 1.55605 1.553 1.54657 1.53611 1.52099 1.50062 1.4743 1.44116 1.40014 1.34819 1.28362 1.20686 1.11461 0.997037 0.854871 0.682355 0.470539 0.204224 -0.140717 -0.584233 -1.16548 -1.93488 -2.98116 -4.45144 -6.61223 -10.0131 -15.738 -26.266 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.08083710961824e-20 7.664188168168739e-20 9.295524416907539e-20 1.0947016047702057e-19 1.2547302113273939e-19 1.406680643295954e-19 1.5473677735274937e-19 1.66901944317048e-19 1.7802265233364197e-19 1.8815001083715598e-19 1.97335289479878e-19 2.056393709739e-19 2.13135955444386e-19 2.1990194736976797e-19 2.26001433815406e-19 2.31455243077542e-19 2.3549272819522196e-19 2.3889575136583797e-19 2.41895026024686e-19 2.44381604160654e-19 2.4638592712978796e-19 2.47940038464768e-19 2.4906636863847e-19 2.49551828158572e-19 2.4930669513356995e-19 2.4881803126019995e-19 2.47787831684538e-19 2.46111954925374e-19 2.43689463854766e-19 2.4042583005130797e-19 2.3620890115062e-19 2.30899287785544e-19 2.24327159232876e-19 2.16003851619246e-19 2.05658597093508e-19 1.93360289250924e-19 1.78580209802274e-19 1.597429384633458e-19 1.369654341284214e-19 1.09325323709307e-19 7.538865911857259e-20 3.2720292090201597e-20 -2.25453489406578e-20 -9.36044461411722e-20 -1.86730482339432e-19 -3.1000195255939195e-19 -4.776344894215439e-19 -7.131993155652959e-19 -1.059396040463382e-18 -1.6042754853905399e-18 -2.5215055865892e-18 -4.208277146864399e-18 ] } }