{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cu" ] } "a" { "source-value" [ 3.60189 3.36055 3.210977 3.102305 3.016901 2.946538 2.886703 2.834652 2.78859 2.747281 2.709834 2.67559 2.644042 2.614797 2.587543 2.562024 2.538033 2.515397 2.493972 2.473634 2.454279 2.435816 2.418166 2.40126 2.384169 2.366557 2.348391 2.329634 2.310248 2.290188 2.269406 2.247848 2.225454 2.202156 2.177878 2.152534 2.126027 2.098244 2.069056 2.038313 2.005842 1.971434 1.934846 1.895781 1.85388 1.808699 1.759679 1.706109 1.647055 1.581266 1.507005 1.421762 1.321719 1.20063 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.60189e-10 3.36055e-10 3.2109770000000005e-10 3.102305e-10 3.016901e-10 2.946538e-10 2.886703e-10 2.834652e-10 2.78859e-10 2.747281e-10 2.709834e-10 2.6755900000000005e-10 2.644042e-10 2.6147969999999997e-10 2.5875430000000004e-10 2.562024e-10 2.538033e-10 2.515397e-10 2.4939719999999997e-10 2.473634e-10 2.454279e-10 2.435816e-10 2.418166e-10 2.4012600000000005e-10 2.384169e-10 2.366557e-10 2.348391e-10 2.329634e-10 2.3102480000000003e-10 2.2901880000000003e-10 2.269406e-10 2.247848e-10 2.225454e-10 2.202156e-10 2.1778780000000003e-10 2.1525340000000003e-10 2.1260270000000003e-10 2.0982440000000004e-10 2.0690559999999998e-10 2.038313e-10 2.005842e-10 1.971434e-10 1.934846e-10 1.895781e-10 1.85388e-10 1.808699e-10 1.7596790000000002e-10 1.7061090000000002e-10 1.647055e-10 1.581266e-10 1.5070049999999999e-10 1.421762e-10 1.321719e-10 1.2006300000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.0885488 0.0317833 0.177343 0.295004 0.388403 0.466541 0.535164 0.589327 0.630542 0.661815 0.684984 0.702221 0.71622 0.729612 0.744319 0.761227 0.780213 0.800398 0.820486 0.839076 0.854886 0.866892 0.874375 0.876918 0.874071 0.864731 0.846204 0.816191 0.773704 0.717583 0.646492 0.55897 0.45353 0.328773 0.183435 0.0162309 -0.17464 -0.392482 -0.643536 -0.938988 -1.29781 -1.74468 -2.31489 -3.05948 -4.05114 -5.39702 -7.31149 -10.202 -14.8002 -22.7739 -36.3368 -59.3031 -109.567 -279.342 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.4187081832873917e-20 5.09224606114122e-21 2.8413481080346196e-20 4.7264851573653596e-20 6.222902111755019e-20 7.47481089002994e-20 8.574272561579759e-20 9.44205949185318e-20 1.010239659155628e-19 1.06034452903071e-19 1.097465359463856e-19 1.125082078104114e-19 1.1475109488034798e-19 1.168967298286008e-19 1.1925305100422458e-19 1.219620112569918e-19 1.250039038143042e-19 1.282378973500332e-19 1.314563497724124e-19 1.344347961350184e-19 1.369678373933724e-19 1.388914106601528e-19 1.40090319435375e-19 1.4049775295340118e-19 1.400416132657014e-19 1.385451802895454e-19 1.355768276397336e-19 1.307682149081094e-19 1.239610470432336e-19 1.1496947155556218e-19 1.0357943764679279e-19 8.955686731069799e-20 7.266351688180199e-20 5.2675241849008194e-20 2.9389527085778994e-20 2.6004768728790597e-21 -2.7980412736175995e-20 -6.288254896655879e-20 -1.0310583423378239e-19 -1.5044246332063919e-19 -2.0793208573715397e-19 -2.79528552980712e-19 -3.70886266828026e-19 -4.90182736819032e-19 -6.49064184906276e-19 -8.64697933723068e-19 -1.171429843772466e-18 -1.6345406020067999e-18 -2.3712534618526798e-18 -3.64878104450526e-18 -5.821797191433119e-18 -9.50140411437654e-18 -1.7554568725747797e-17 -4.475552252948279e-17 ] } }