{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.48763 5.119939 4.892058 4.726491 4.596375 4.489174 4.398013 4.318711 4.248534 4.185597 4.128546 4.076373 4.028309 3.983753 3.942229 3.90335 3.866799 3.832313 3.799671 3.768686 3.739197 3.711067 3.684176 3.65842 3.640886 3.622432 3.602956 3.582339 3.560438 3.537083 3.512067 3.485135 3.45597 3.424167 3.389202 3.350374 3.306725 3.256883 3.198797 3.12919 3.042329 2.92674 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48763e-10 5.119939e-10 4.892058e-10 4.726491e-10 4.596375e-10 4.4891740000000004e-10 4.3980129999999997e-10 4.3187110000000007e-10 4.2485340000000004e-10 4.1855969999999996e-10 4.128546e-10 4.076373e-10 4.028309e-10 3.983753e-10 3.9422290000000006e-10 3.9033500000000003e-10 3.866799e-10 3.8323130000000003e-10 3.7996710000000004e-10 3.7686860000000003e-10 3.739197e-10 3.711067e-10 3.684176e-10 3.65842e-10 3.640886e-10 3.622432e-10 3.602956e-10 3.582339e-10 3.560438e-10 3.537083e-10 3.512067e-10 3.485135e-10 3.4559700000000005e-10 3.4241670000000003e-10 3.389202e-10 3.350374e-10 3.3067250000000003e-10 3.256883e-10 3.198797e-10 3.12919e-10 3.0423290000000004e-10 2.92674e-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" [ 0 0 1.7587 2.06883 2.33503 2.5668 2.77035 2.95011 3.10933 3.25053 3.3757 3.48645 3.58414 3.66988 3.74462 3.80918 3.86429 3.91056 3.94855 3.97875 4.0016 4.0175 4.0268 4.02983 4.02836 4.02353 4.01456 4.00054 3.98019 3.95183 3.91333 3.86183 3.79343 3.70264 3.5816 3.41863 3.19574 2.88385 2.43286 1.74922 0.636514 -1.39616 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.8177480462157997e-19 3.3146310857182203e-19 3.74113050568902e-19 4.1124669841512e-19 4.4385900380019e-19 4.72659730972974e-19 4.98169587339522e-19 5.207923214116019e-19 5.4084676633938e-19 5.5859087256093e-19 5.742425360984759e-19 5.879795985583919e-19 5.99954266720908e-19 6.102979190700119e-19 6.19127514499986e-19 6.265407857855039e-19 6.326274548180699e-19 6.374660282527499e-19 6.411270018614399e-19 6.436744627094999e-19 6.451644869791199e-19 6.456499464992219e-19 6.45414426534024e-19 6.44640575219802e-19 6.43203422779104e-19 6.40957171138236e-19 6.37696741688046e-19 6.331529687540219e-19 6.26984588713122e-19 6.187333790480219e-19 6.077744908714619e-19 5.93228329211376e-19 5.7383558323344e-19 5.47724910629142e-19 5.120139956339159e-19 4.620437085960899e-19 3.897871445793239e-19 2.8025594117254796e-19 1.019807858013876e-19 -2.23689492932544e-19 ] } }