{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 8.81829 8.227432 7.861242 7.595185 7.386097 7.213832 7.067341 6.939907 6.827137 6.726002 6.634324 6.550485 6.473249 6.401651 6.334924 6.272448 6.213713 6.158295 6.105841 6.05605 6.008664 5.963461 5.920249 5.87886 5.850683 5.821029 5.789733 5.756602 5.721408 5.683878 5.643679 5.600401 5.553534 5.502429 5.446241 5.383847 5.313705 5.233612 5.140272 5.028416 4.888835 4.70309 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.818289999999999e-10 8.227432000000001e-10 7.861242e-10 7.595185e-10 7.386097000000001e-10 7.213832e-10 7.067341e-10 6.939907e-10 6.827137e-10 6.726002000000001e-10 6.634324000000001e-10 6.550485000000001e-10 6.473249e-10 6.401651000000001e-10 6.334924e-10 6.272448e-10 6.213713000000001e-10 6.158295e-10 6.105841e-10 6.05605e-10 6.008664e-10 5.963461e-10 5.920249e-10 5.878860000000001e-10 5.850683e-10 5.821029000000001e-10 5.789733e-10 5.756602e-10 5.721408e-10 5.683878000000001e-10 5.643678999999999e-10 5.600401e-10 5.553534e-10 5.502429e-10 5.446241e-10 5.383847e-10 5.313705e-10 5.233612e-10 5.140272000000001e-10 5.028416e-10 4.888835000000001e-10 4.703090000000001e-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" [ 1.44013 1.18273 1.24809 1.57383 1.93904 2.16743 2.27724 2.31537 2.3283 2.3516 2.39304 2.44528 2.50528 2.5856 2.69337 2.82089 2.95156 3.06679 3.16131 3.23759 3.29707 3.33841 3.36162 3.36854 3.36563 3.35688 3.34227 3.32178 3.29466 3.25968 3.21586 3.162 3.09456 3.00592 2.88322 2.70421 2.42996 1.98547 1.20001 -0.0466687 -1.29624 -3.77825 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.307342616912704e-19 1.8949423547187843e-19 1.999660618654272e-19 2.5215536311136644e-19 3.106684554796032e-19 3.4726056732205443e-19 3.648540687950592e-19 3.7096316825016963e-19 3.73034782620864e-19 3.76767854147328e-19 3.834072740639232e-19 3.917770447309824e-19 4.013901044557824e-19 4.14258787074048e-19 4.3152544451640958e-19 4.519564007848512e-19 4.728920426888449e-19 4.913539238903232e-19 5.064976973101248e-19 5.187191005735873e-19 5.282488471141057e-19 5.348722452644928e-19 5.385908972013696e-19 5.396996034229632e-19 5.392333700263104e-19 5.378314654831105e-19 5.354906854401216e-19 5.322078255441024e-19 5.278627225484928e-19 5.2225830872893445e-19 5.152375707765888e-19 5.0660824749696e-19 4.958031683662848e-19 4.816014747995136e-19 4.619427676622977e-19 4.332622039733568e-19 3.893225101479168e-19 3.1810736152997762e-19 1.9226279667262082e-19 -7.477150006312896e-21 -2.0768054229457923e-19 -6.0534238175376e-19 ] } }