{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.62953 8.05132 7.692968 7.432606 7.227994 7.059416 6.916061 6.791355 6.680999 6.582029 6.492313 6.410268 6.334685 6.26462 6.199322 6.138183 6.080705 6.026474 5.975143 5.926417 5.880045 5.83581 5.793523 5.75302 5.712073 5.669878 5.626354 5.581417 5.53497 5.48691 5.43712 5.38547 5.331817 5.275999 5.217833 5.157114 5.093607 5.027043 4.957114 4.88346 4.805663 4.723229 4.635569 4.541976 4.441589 4.333342 4.215899 4.087554 3.94607 3.78845 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.629530000000001e-10 8.051320000000001e-10 7.692968e-10 7.432606e-10 7.227994e-10 7.059416e-10 6.916061000000001e-10 6.791355e-10 6.680999e-10 6.582029000000001e-10 6.492313e-10 6.410268e-10 6.334685e-10 6.26462e-10 6.199322e-10 6.138183e-10 6.080705e-10 6.026474000000001e-10 5.975143000000001e-10 5.926417e-10 5.880045e-10 5.835810000000001e-10 5.793523000000001e-10 5.753020000000001e-10 5.712073e-10 5.669878e-10 5.626354e-10 5.581417e-10 5.534970000000001e-10 5.48691e-10 5.43712e-10 5.38547e-10 5.331817e-10 5.275999e-10 5.217832999999999e-10 5.157114e-10 5.093607000000001e-10 5.027043000000001e-10 4.957114e-10 4.88346e-10 4.805663e-10 4.723229e-10 4.6355690000000005e-10 4.541976e-10 4.4415889999999995e-10 4.3333420000000004e-10 4.2158990000000006e-10 4.087554e-10 3.94607e-10 3.78845e-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" [ 0.835543 1.20944 1.48761 1.71236 1.8983 2.05542 2.19008 2.30656 2.40816 2.49857 2.57801 2.64787 2.70924 2.76301 2.80988 2.849 2.8823 2.91024 2.9332 2.95148 2.96535 2.97503 2.98071 2.98257 2.98056 2.97398 2.96195 2.94336 2.91695 2.88117 2.83374 2.77203 2.69272 2.5914 2.46229 2.29874 2.09145 1.82871 1.4936 1.06411 0.51045 -0.208572 -1.14863 -2.38666 -4.03098 -6.2374 -9.23103 -13.3479 -19.1073 -27.3511 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.338687471302262e-19 1.93773650822496e-19 2.38341398250474e-19 2.74350318099624e-19 3.0414119043222e-19 3.2931458970562796e-19 3.5088950025907197e-19 3.69551653691904e-19 3.85829768293344e-19 4.0031504724133797e-19 4.1304273842183396e-19 4.24235544386958e-19 4.34068102389816e-19 4.42683006150834e-19 4.50192408034392e-19 4.564601230266e-19 4.617953712178199e-19 4.66271852733216e-19 4.6995045028488e-19 4.72879229171832e-19 4.7510144816319e-19 4.76652355144902e-19 4.77562391473014e-19 4.778603963269379e-19 4.77538358823504e-19 4.764841265983319e-19 4.745567081076299e-19 4.71578261745024e-19 4.673469132546299e-19 4.6161432525817795e-19 4.54015201483116e-19 4.44128169474702e-19 4.3142130659044798e-19 4.1518805293476e-19 3.9450235041318597e-19 3.6829875156411596e-19 3.3508723211793e-19 2.92991643236214e-19 2.3930110205424e-19 1.7048921780057397e-19 8.178310628252999e-20 -3.3416918490664797e-20 -1.84030814711142e-19 -3.82385088530244e-19 -6.458341968121319e-19 -9.993416536911599e-19 -1.478974057375302e-18 -2.13856934929686e-18 -3.0613269598828195e-18 -4.3821293334197396e-18 ] } }