{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.93177 5.534319 5.287994 5.109027 4.96838 4.852502 4.753963 4.668242 4.592385 4.524355 4.462686 4.40629 4.354336 4.306175 4.26129 4.219264 4.179755 4.142477 4.107193 4.0737 4.041825 4.011418 3.982351 3.95451 3.935557 3.915609 3.894557 3.872271 3.848598 3.823353 3.796312 3.7672 3.735675 3.701298 3.663502 3.621532 3.57435 3.520474 3.457687 3.382445 3.288554 3.16361 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.931770000000001e-10 5.534319e-10 5.287994000000001e-10 5.109027e-10 4.96838e-10 4.852502e-10 4.753963e-10 4.668242e-10 4.5923850000000005e-10 4.524355e-10 4.4626859999999997e-10 4.4062900000000005e-10 4.354336e-10 4.306175e-10 4.26129e-10 4.219264e-10 4.179755e-10 4.1424770000000003e-10 4.107193e-10 4.0736999999999996e-10 4.041825e-10 4.0114180000000003e-10 3.982351e-10 3.95451e-10 3.935557e-10 3.915609e-10 3.894557e-10 3.872271e-10 3.848598e-10 3.823353e-10 3.796312e-10 3.7672e-10 3.735675e-10 3.7012980000000003e-10 3.663502e-10 3.621532e-10 3.57435e-10 3.5204740000000004e-10 3.457687e-10 3.3824450000000005e-10 3.288554e-10 3.16361e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.19652 1.6492 1.99567 2.28022 2.52203 2.73157 2.91512 3.07716 3.22114 3.34916 3.46301 3.56413 3.65367 3.73259 3.80168 3.86164 3.91304 3.9564 3.99215 4.02071 4.04242 4.05759 4.0665 4.06942 4.068 4.06331 4.05458 4.04083 4.0208 3.99282 3.95469 3.90343 3.83494 3.74344 3.62051 3.45358 3.22302 2.8966 2.41798 1.67979 0.45134 -1.86221 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.917036370319616e-19 2.6423096830233603e-19 3.1974158168319363e-19 3.6533151742805763e-19 4.0407375029562244e-19 4.376457592078657e-19 4.670537110826496e-19 4.930153810460929e-19 5.160835200323712e-19 5.365945851318528e-19 5.548353659596609e-19 5.710365759491904e-19 5.853824654118336e-19 5.980268433031873e-19 6.090962815762945e-19 6.187029325946112e-19 6.269381204255233e-19 6.33885158253312e-19 6.396129396726721e-19 6.441887561016769e-19 6.476670815454336e-19 6.500975834791873e-19 6.5152512284832e-19 6.519929584215936e-19 6.5176544934143995e-19 6.510140285062849e-19 6.496153283163264e-19 6.4741233546272635e-19 6.442031756912641e-19 6.397202855062656e-19 6.336111860511552e-19 6.253984286929345e-19 6.144251210170752e-19 5.997652049367553e-19 5.800696477372608e-19 5.533245134062464e-19 5.163847292370816e-19 4.64086479980928e-19 3.8740310255619843e-19 2.691320265853632e-19 7.231263960318721e-20 -2.983589325019968e-19 ] } }