{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 6.067 5.660489 5.40855 5.225503 5.08165 4.963131 4.862346 4.774671 4.697085 4.627504 4.56443 4.506748 4.45361 4.404351 4.358443 4.315459 4.275049 4.236922 4.200833 4.166577 4.133975 4.102875 4.073146 4.04467 4.025285 4.004882 3.98335 3.960556 3.936343 3.910523 3.882865 3.85309 3.820846 3.785685 3.747028 3.704101 3.655843 3.600739 3.536521 3.459564 3.363532 3.23574 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.067000000000001e-10 5.660489e-10 5.40855e-10 5.225503e-10 5.08165e-10 4.963131e-10 4.862346e-10 4.774671e-10 4.697085000000001e-10 4.627504e-10 4.56443e-10 4.5067480000000004e-10 4.4536100000000006e-10 4.404351e-10 4.3584430000000004e-10 4.315459e-10 4.2750490000000003e-10 4.236922e-10 4.2008330000000003e-10 4.1665770000000003e-10 4.1339750000000007e-10 4.102875e-10 4.0731460000000003e-10 4.0446700000000003e-10 4.0252850000000004e-10 4.004882e-10 3.9833500000000005e-10 3.960556e-10 3.936343e-10 3.910523e-10 3.882865e-10 3.8530900000000003e-10 3.820846e-10 3.785685e-10 3.7470279999999997e-10 3.704101e-10 3.655843e-10 3.600739e-10 3.536521e-10 3.459564e-10 3.363532e-10 3.23574e-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 0 0.124051 0.555419 0.927479 1.1969 1.38651 1.52018 1.61582 1.68576 1.74105 1.78961 1.83221 1.86941 1.90169 1.92946 1.95307 1.97282 1.98898 2.00179 2.01146 2.01816 2.02208 2.02335 2.02274 2.02071 2.01697 2.01111 2.00262 1.99083 1.97489 1.95362 1.92543 1.88812 1.83852 1.77194 1.68118 1.55467 1.3725 1.09769 0.546405 -2.41722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.9875161362433398e-20 8.89879343879646e-20 1.485985182325686e-19 1.9176452132346e-19 2.2214339248073397e-19 2.43559687547412e-19 2.58882904874988e-19 2.70088528253184e-19 2.7894696286256996e-19 2.8672713259727395e-19 2.93552405058114e-19 2.99512502136594e-19 3.04684328311146e-19 3.0913357282376397e-19 3.12916311856638e-19 3.16080610708788e-19 3.18669728149332e-19 3.20722116417486e-19 3.22271421222564e-19 3.2334487956734397e-19 3.2397293280787194e-19 3.2417640924039e-19 3.24078676465716e-19 3.2375343460901393e-19 3.23154220547898e-19 3.2221534504037396e-19 3.2085509707810794e-19 3.18966130826622e-19 3.1641226127202596e-19 3.1300443157150797e-19 3.0848789564026197e-19 3.0251017461880797e-19 2.94563378514168e-19 2.83896086484996e-19 2.6935473135481195e-19 2.49085594758078e-19 2.198987430165e-19 1.75869326937546e-19 8.7543732370077e-20 -3.8728134032374796e-19 ] } }