{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.2765 3.989959 3.812372 3.683346 3.581946 3.498405 3.427363 3.365563 3.310875 3.261828 3.217368 3.17671 3.139253 3.104532 3.072172 3.041874 3.013389 2.986514 2.961076 2.93693 2.913949 2.892028 2.871072 2.851 2.830708 2.809798 2.788229 2.765959 2.742942 2.719125 2.694451 2.668855 2.642266 2.614605 2.58578 2.555689 2.524217 2.491231 2.456576 2.420076 2.381522 2.340671 2.29723 2.250848 2.201099 2.147456 2.089256 2.025652 1.955538 1.877426 1.789257 1.688049 1.569268 1.4255 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2765000000000007e-10 3.989959e-10 3.812372e-10 3.683346e-10 3.581946e-10 3.498405e-10 3.427363e-10 3.365563e-10 3.3108749999999997e-10 3.261828e-10 3.2173680000000003e-10 3.17671e-10 3.139253e-10 3.104532e-10 3.0721720000000004e-10 3.041874e-10 3.0133890000000003e-10 2.9865140000000003e-10 2.961076e-10 2.9369299999999997e-10 2.913949e-10 2.892028e-10 2.871072e-10 2.8510000000000003e-10 2.8307080000000003e-10 2.809798e-10 2.788229e-10 2.765959e-10 2.7429420000000004e-10 2.719125e-10 2.694451e-10 2.668855e-10 2.642266e-10 2.614605e-10 2.5857800000000003e-10 2.5556890000000004e-10 2.524217e-10 2.491231e-10 2.456576e-10 2.420076e-10 2.381522e-10 2.340671e-10 2.29723e-10 2.250848e-10 2.2010990000000002e-10 2.147456e-10 2.089256e-10 2.025652e-10 1.955538e-10 1.8774260000000002e-10 1.7892570000000002e-10 1.6880489999999999e-10 1.569268e-10 1.4255000000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06384 1.48962 2.11805 2.43853 2.70489 2.93267 3.12978 3.30164 3.45218 3.58439 3.70056 3.80254 3.89184 3.96968 4.03712 4.09504 4.14421 4.18528 4.21885 4.24541 4.26542 4.27929 4.28737 4.29 4.28718 4.2782 4.26203 4.23727 4.20232 4.15534 4.09418 4.01622 3.91831 3.79662 3.64639 3.46177 3.23547 2.95836 2.61884 2.20209 1.68892 1.0542 0.26446 -0.725522 -1.97922 -3.59127 -5.71018 -8.58205 -12.642 -18.7248 -28.612 -46.5762 -84.2509 -177.968 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7044595903145597e-19 2.3866343575390797e-19 3.3934902196437003e-19 3.9069557873080197e-19 4.3337115555402594e-19 4.69865534923278e-19 5.014460385560519e-19 5.289810461879759e-19 5.531002132362119e-19 5.74282590514326e-19 5.92895076471504e-19 6.092340737850359e-19 6.23541511126656e-19 6.3601285404571195e-19 6.46817933265408e-19 6.560977403295359e-19 6.63975642838914e-19 6.705557822747519e-19 6.759342892350899e-19 6.8018967037499395e-19 6.833956258196279e-19 6.856178448109859e-19 6.86912403531258e-19 6.87333775986e-19 6.86881962175212e-19 6.8544320755788e-19 6.8285248794070195e-19 6.788854985949179e-19 6.73285891259088e-19 6.657588654325559e-19 6.5595995313901195e-19 6.434693841003479e-19 6.277824726768539e-19 6.082855852177079e-19 5.842160856451259e-19 5.54636700628218e-19 5.183794434007979e-19 4.739815266960239e-19 4.1958442561845597e-19 3.52813714396506e-19 2.7059481606952796e-19 1.6890146075628e-19 4.2371163262763994e-20 -1.162414395852948e-19 -3.17106003754548e-19 -5.75384888038518e-19 -9.14871697193412e-19 -1.37499599818197e-18 -2.0254717007027998e-18 -3.0000437036323195e-18 -4.5841477852008e-18 -7.462329934051079e-18 -1.3498482337347059e-17 -2.85136171199712e-17 ] } }