{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Rn" "Rn" ] } "a" { "source-value" [ 4.95309 4.621215 4.415532 4.266092 4.14865 4.051892 3.969611 3.898033 3.834692 3.777886 3.726392 3.679301 3.635918 3.595703 3.558224 3.523132 3.490141 3.459014 3.429552 3.401585 3.374969 3.349579 3.325307 3.30206 3.286234 3.269577 3.251999 3.23339 3.213622 3.192542 3.169963 3.145654 3.11933 3.090625 3.059065 3.02402 2.984622 2.939635 2.887207 2.82438 2.74598 2.64165 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.95309e-10 4.6212150000000007e-10 4.415532e-10 4.2660920000000004e-10 4.14865e-10 4.051892e-10 3.9696110000000003e-10 3.898033e-10 3.834692e-10 3.777886e-10 3.726392e-10 3.679301e-10 3.6359180000000004e-10 3.595703e-10 3.558224e-10 3.523132e-10 3.490141e-10 3.459014e-10 3.4295520000000004e-10 3.401585e-10 3.374969e-10 3.349579e-10 3.325307e-10 3.30206e-10 3.286234e-10 3.269577e-10 3.2519990000000004e-10 3.2333900000000003e-10 3.213622e-10 3.192542e-10 3.169963e-10 3.145654e-10 3.11933e-10 3.0906250000000004e-10 3.059065e-10 3.0240200000000003e-10 2.984622e-10 2.939635e-10 2.8872070000000003e-10 2.8243800000000004e-10 2.74598e-10 2.64165e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0277145 0.0414794 0.0536055 0.0647103 0.0750339 0.0847247 0.0938407 0.102411 0.110462 0.118011 0.125076 0.131652 0.137737 0.143345 0.148476 0.153121 0.157255 0.16087 0.163957 0.166505 0.168507 0.169957 0.170837 0.171132 0.170983 0.170482 0.169532 0.168001 0.165711 0.162421 0.157791 0.151347 0.142402 0.129939 0.112397 0.0872805 0.0504214 -0.00555941 -0.0949422 -0.248096 -0.540152 -1.20538 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.44035239571616e-21 6.645732492481153e-21 8.58854788462944e-21 1.0367732978495425e-20 1.2021756034744513e-20 1.3574393354429376e-20 1.5034937561950656e-20 1.640805099127488e-20 1.769796338868096e-20 1.890744651972288e-20 2.003938430231808e-20 2.109297564815616e-20 2.206790012191296e-20 2.29664007708576e-20 2.378847759499008e-20 2.4532688635351683e-20 2.51950284503904e-20 2.5774215298809602e-20 2.626880722165056e-20 2.66770418246304e-20 2.699779758411456e-20 2.723011319413056e-20 2.7371104736760957e-20 2.7418368947074563e-20 2.7394496515424643e-20 2.731422746672256e-20 2.716202068774656e-20 2.6916727447102082e-20 2.654982900093888e-20 2.6022712892695682e-20 2.528090511726528e-20 2.4248462502821762e-20 2.281531551551616e-20 2.081852279301312e-20 1.800798456480576e-20 1.398387765517344e-20 8.078398826800512e-21 -8.907156727441727e-22 -1.5211417316731778e-20 -3.9749361091399685e-20 -8.654189060783616e-20 -1.931231655179904e-19 ] } }