{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.18109 7.632927 7.293197 7.046365 6.852386 6.692568 6.556663 6.438437 6.333816 6.239988 6.154935 6.077154 6.005499 5.939075 5.87717 5.819208 5.764716 5.713304 5.66464 5.618446 5.574484 5.532548 5.492458 5.45406 5.427919 5.400408 5.371373 5.340636 5.307986 5.273167 5.235873 5.195722 5.152242 5.104829 5.052702 4.994816 4.929742 4.855437 4.768841 4.665068 4.535573 4.36325 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.18109e-10 7.632927e-10 7.293197e-10 7.046365e-10 6.852386000000001e-10 6.692568e-10 6.556663e-10 6.438437000000001e-10 6.333816e-10 6.239988e-10 6.154935e-10 6.077154e-10 6.005499e-10 5.939075e-10 5.87717e-10 5.819208e-10 5.764716e-10 5.713304000000001e-10 5.664640000000001e-10 5.618446e-10 5.574484e-10 5.532548e-10 5.492458e-10 5.45406e-10 5.427919e-10 5.400408e-10 5.371373e-10 5.340636e-10 5.307985999999999e-10 5.273167e-10 5.235873e-10 5.195722e-10 5.152242e-10 5.104829e-10 5.052702e-10 4.994816e-10 4.929742e-10 4.855437e-10 4.768841000000001e-10 4.665068e-10 4.5355730000000005e-10 4.36325e-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" [ 0.627615 1.02092 1.33693 1.57202 1.73958 1.86033 1.95187 2.02498 2.086 2.13831 2.18417 2.22539 2.26329 2.2986 2.33104 2.35999 2.385 2.40592 2.4229 2.43617 2.44601 2.4527 2.4565 2.45771 2.45714 2.4553 2.45194 2.44677 2.4394 2.42921 2.4149 2.39468 2.36663 2.32831 2.27639 2.20807 2.12186 2.017 1.89488 1.75011 1.50211 0.888422 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.00555008814791e-19 1.63569416918328e-19 2.1419980072936197e-19 2.5186537121806797e-19 2.7871144289737197e-19 2.98057725752922e-19 3.12724050660558e-19 3.2443756403173194e-19 3.3421404585239993e-19 3.42595031824854e-19 3.49942613868378e-19 3.56546785953726e-19 3.6261903539658596e-19 3.6827632109123996e-19 3.7347378209193594e-19 3.7811208344736594e-19 3.8211912720899993e-19 3.8547088072732797e-19 3.8819137665185996e-19 3.9031746504517802e-19 3.918940068530339e-19 3.9296586302118e-19 3.935746901421e-19 3.9376855351481397e-19 3.9367722944667594e-19 3.9338242894601996e-19 3.92844097596996e-19 3.9201577227721797e-19 3.9083496809796e-19 3.8920235010791395e-19 3.8690963534465994e-19 3.83670034190712e-19 3.7917592873234194e-19 3.73036387870854e-19 3.64717886787126e-19 3.5377181602363803e-19 3.3995945126192394e-19 3.2315902707779995e-19 3.03593246023392e-19 2.8039853489297397e-19 2.40664554369774e-19 1.423408969531548e-19 ] } }