{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 11.0742 10.332194 9.872328 9.538211 9.275635 9.059303 8.875338 8.715305 8.573687 8.446681 8.33155 8.226264 8.12927 8.039357 7.955561 7.877102 7.803342 7.733748 7.667876 7.605347 7.545839 7.489073 7.434807 7.38283 7.347445 7.310204 7.270901 7.229294 7.185097 7.137966 7.087482 7.033132 6.974275 6.910095 6.839533 6.761177 6.67309 6.572507 6.455287 6.314815 6.139524 5.90626 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1074199999999999e-09 1.0332193999999999e-09 9.872328e-10 9.538211e-10 9.275634999999999e-10 9.059303e-10 8.875338e-10 8.715305000000001e-10 8.573687e-10 8.446681000000001e-10 8.33155e-10 8.226264000000001e-10 8.12927e-10 8.039357000000001e-10 7.955561000000001e-10 7.877102e-10 7.803342e-10 7.733748000000001e-10 7.667876e-10 7.605347e-10 7.545839e-10 7.489073e-10 7.434807e-10 7.382830000000001e-10 7.347445e-10 7.310203999999999e-10 7.270901e-10 7.229294e-10 7.185097e-10 7.137966e-10 7.087482e-10 7.033132e-10 6.974275e-10 6.910095e-10 6.839533e-10 6.761177e-10 6.67309e-10 6.572507e-10 6.455287e-10 6.314815e-10 6.139524e-10 5.90626e-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" [ 0.368619 0.552535 0.714175 0.862322 1.0008 1.13051 1.25288 1.36791 1.47596 1.57725 1.672 1.76039 1.8422 1.91738 1.98616 2.04842 2.10381 2.15222 2.19352 2.22757 2.25424 2.27338 2.28516 2.28914 2.28714 2.2804 2.26756 2.24685 2.21598 2.17162 2.10923 2.02241 1.90194 1.73412 1.4979 1.15991 0.663836 -0.0897463 -1.2925 -3.35357 -7.28172 -16.2275 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.905927437826752e-20 8.852586591737281e-20 1.14423448815984e-19 1.3815921480014977e-19 1.60345836209664e-19 1.811276691580608e-19 2.007335044667904e-19 2.1916334213585283e-19 2.364748605235968e-19 2.5270330751568e-19 2.6788393099776e-19 2.820455701490112e-19 2.9515297708377603e-19 3.071981409189504e-19 3.182179117168128e-19 3.2819306335791366e-19 3.3706751966052486e-19 3.448236566818176e-19 3.514406461257216e-19 3.5689605751954565e-19 3.611690625672192e-19 3.6423562861943042e-19 3.661229926787328e-19 3.6676065897381127e-19 3.6644022364965123e-19 3.6536035660723204e-19 3.633031618261248e-19 3.59985054044448e-19 3.5503913481603843e-19 3.479318793261696e-19 3.3793589938899845e-19 3.240258019672128e-19 3.0472438021643523e-19 2.7783665216616964e-19 2.3999003602963203e-19 1.8583806842321282e-19 1.0635825192453888e-19 -1.4378942366330306e-20 -2.0708132823840001e-19 -5.373011450216256e-19 -1.1666601543211777e-18 -2.5999321114032e-18 ] } }