{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 7.81144 7.288045 6.963666 6.727988 6.542773 6.390176 6.260412 6.147528 6.047634 5.958047 5.876836 5.80257 5.734152 5.670729 5.611621 5.556279 5.50425 5.45516 5.408695 5.364589 5.322613 5.282571 5.244293 5.20763 5.18267 5.156402 5.128678 5.09933 5.068155 5.03491 4.9993 4.960963 4.919447 4.874177 4.824404 4.769134 4.707 4.636051 4.553368 4.454283 4.330638 4.1661 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.811440000000001e-10 7.288045000000001e-10 6.963666e-10 6.727988e-10 6.542773000000001e-10 6.390176000000001e-10 6.260412e-10 6.147528e-10 6.047634e-10 5.958047e-10 5.876836e-10 5.80257e-10 5.734152e-10 5.670729e-10 5.611621000000001e-10 5.556279e-10 5.50425e-10 5.455160000000001e-10 5.408695e-10 5.364589e-10 5.322613e-10 5.282571e-10 5.244293e-10 5.20763e-10 5.18267e-10 5.156402000000001e-10 5.128678e-10 5.09933e-10 5.068155e-10 5.03491e-10 4.9993e-10 4.960962999999999e-10 4.919447e-10 4.874177e-10 4.824404000000001e-10 4.769134e-10 4.707e-10 4.6360510000000006e-10 4.553368e-10 4.4542830000000006e-10 4.330638000000001e-10 4.1661e-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" [ 0.627526 0.921927 1.19118 1.42285 1.61536 1.78171 1.93042 2.06639 2.19158 2.30582 2.40841 2.49928 2.57902 2.64857 2.70881 2.76077 2.80477 2.84154 2.87156 2.89526 2.91306 2.92535 2.93247 2.93478 2.93367 2.93006 2.92365 2.91335 2.8985 2.87799 2.8504 2.81378 2.76555 2.70217 2.61879 2.50836 2.35968 2.15448 1.86157 1.42065 0.703002 -0.607192 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.005407486144141e-19 1.4770898854842819e-19 1.908480747164544e-19 2.27965700490528e-19 2.588092026175488e-19 2.854614107045568e-19 3.0928737923247364e-19 3.3107217474549126e-19 3.5112982386128645e-19 3.6943308957730566e-19 3.858698195300928e-19 4.0042879848330243e-19 4.132045548575616e-19 4.243476932552256e-19 4.339992052189249e-19 4.423241149406017e-19 4.493736920721216e-19 4.552648955068032e-19 4.600746297224449e-19 4.638717883137408e-19 4.667236626987649e-19 4.68692737765728e-19 4.698334875197376e-19 4.702035903191425e-19 4.700257487142336e-19 4.694473629541249e-19 4.68420367740192e-19 4.66770125820768e-19 4.6439089353888e-19 4.6110482928961925e-19 4.56684423992832e-19 4.508172532074624e-19 4.430899553653441e-19 4.3293535994271366e-19 4.1957641127848327e-19 4.0188357485498883e-19 3.7806241285693445e-19 3.451857485981184e-19 2.982563931982656e-19 2.27613221633952e-19 1.1263333687756417e-19 -9.728288267367936e-20 ] } }