{ "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" [ "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" [ 6.80465 6.348713 6.066141 5.860837 5.699494 5.566565 5.453525 5.35519 5.268171 5.19013 5.119386 5.054691 4.995092 4.939843 4.888353 4.840143 4.79482 4.752057 4.711581 4.673159 4.636593 4.601712 4.568368 4.53643 4.514687 4.491804 4.467654 4.442089 4.414932 4.385971 4.354951 4.321555 4.28539 4.245955 4.202597 4.154451 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.80465e-10 6.348713e-10 6.066141e-10 5.860837e-10 5.699494e-10 5.566565e-10 5.453525000000001e-10 5.35519e-10 5.268171e-10 5.19013e-10 5.119386000000001e-10 5.054691e-10 4.995092e-10 4.939843e-10 4.888353000000001e-10 4.840143000000001e-10 4.79482e-10 4.752057e-10 4.711581e-10 4.673159e-10 4.6365930000000007e-10 4.601712e-10 4.5683680000000006e-10 4.53643e-10 4.5146870000000004e-10 4.491804e-10 4.467654e-10 4.442089e-10 4.4149320000000003e-10 4.3859709999999997e-10 4.354951e-10 4.321555e-10 4.28539e-10 4.245955000000001e-10 4.202597e-10 4.154451e-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" [ 2.24309 3.36226 4.34588 5.24739 6.09004 6.87941 7.62407 8.32405 8.98156 9.59792 10.1745 10.7124 11.2102 11.6677 12.0863 12.4652 12.8022 13.0968 13.3481 13.5554 13.7177 13.8341 13.9058 13.93 13.9178 13.8768 13.7987 13.6726 13.4847 13.2148 12.8351 12.3068 11.5737 10.5524 9.11492 7.0581 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.5938263563502723e-19 5.386934365051008e-19 6.962867332802305e-19 8.407245578219713e-19 9.757319707736833e-19 1.1022029866897729e-18 1.2215106709342656e-18 1.333659830037024e-18 1.439004545031245e-18 1.5377563032308736e-18 1.6301346028329602e-18 1.7163156832657922e-18 1.796072035449216e-18 1.8693716158508163e-18 1.936438729197504e-18 1.997145201359616e-18 2.051138553480576e-18 2.098338676729344e-18 2.1386013752100483e-18 2.1718144965592323e-18 2.1978178231148163e-18 2.216467158980928e-18 2.227954765352064e-18 2.2318320327744e-18 2.229877377297024e-18 2.223308453151744e-18 2.2107954537432963e-18 2.190592006555008e-18 2.160487107850176e-18 2.117244360854784e-18 2.0564097145630084e-18 1.9717667236861442e-18 1.854311155615296e-18 1.6906808573329921e-18 1.4603711724462336e-18 1.130832280726848e-18 ] } }