{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28 4.92622 4.706962 4.547659 4.422466 4.319322 4.23161 4.155308 4.087786 4.027231 3.972338 3.922139 3.875893 3.833024 3.793071 3.755663 3.720495 3.687313 3.655906 3.626094 3.597721 3.570655 3.544782 3.52 3.494947 3.469129 3.442499 3.415004 3.386586 3.35718 3.326716 3.295114 3.262286 3.228134 3.192545 3.155393 3.116536 3.075809 3.033023 2.987958 2.940357 2.88992 2.836285 2.77902 2.717597 2.651366 2.579509 2.50098 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28e-10 4.92622e-10 4.706962e-10 4.5476590000000006e-10 4.422466e-10 4.319322e-10 4.23161e-10 4.155308e-10 4.0877860000000003e-10 4.027231e-10 3.972338e-10 3.9221390000000004e-10 3.8758930000000004e-10 3.833024e-10 3.793071e-10 3.7556630000000004e-10 3.720495e-10 3.6873130000000003e-10 3.655906e-10 3.626094e-10 3.597721e-10 3.570655e-10 3.5447820000000005e-10 3.52e-10 3.494947e-10 3.4691290000000004e-10 3.4424990000000005e-10 3.4150040000000003e-10 3.386586e-10 3.3571800000000004e-10 3.326716e-10 3.295114e-10 3.2622860000000004e-10 3.228134e-10 3.192545e-10 3.155393e-10 3.116536e-10 3.075809e-10 3.0330230000000004e-10 2.987958e-10 2.940357e-10 2.88992e-10 2.836285e-10 2.77902e-10 2.717597e-10 2.651366e-10 2.579509e-10 2.5009800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.11701 1.68834 2.1172 2.46202 2.749 2.99276 3.20251 3.38451 3.54327 3.68216 3.80378 3.91022 4.00315 4.08395 4.15378 4.21361 4.2643 4.30656 4.34102 4.36825 4.38872 4.40289 4.41113 4.41381 4.41095 4.40172 4.38507 4.3597 4.32411 4.27652 4.21477 4.13628 4.03795 3.91599 3.76576 3.58156 3.35633 3.0812 2.74498 2.3334 1.82804 1.20486 0.431948 -0.533609 -1.75065 -3.30145 -5.30394 -7.9318 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.78964732194434e-19 2.7050188982475597e-19 3.3921283695047995e-19 3.9445909164406796e-19 4.404383566866e-19 4.79493014316984e-19 5.13098669215134e-19 5.42258283953934e-19 5.67694440195318e-19 5.89947071464944e-19 6.094327436876519e-19 6.264863117799479e-19 6.413753392397099e-19 6.543209264424299e-19 6.65508925877652e-19 6.75094748678874e-19 6.8321618203662e-19 6.89986980491904e-19 6.95508081172668e-19 6.9987080814704995e-19 7.03150463716848e-19 7.054207480072259e-19 7.06740941553642e-19 7.0717032489155395e-19 7.067121023742299e-19 7.05233293341048e-19 7.025656692454379e-19 6.9850094712498e-19 6.92798800484574e-19 6.851740418833679e-19 6.752806011684179e-19 6.6270511676815195e-19 6.4695091392603005e-19 6.274107676977659e-19 6.03341268125184e-19 5.73829174526904e-19 5.377433501993219e-19 4.936626644680799e-19 4.39794281679732e-19 3.7385189577756e-19 2.92884297401736e-19 1.9303985392412399e-19 6.92056992703032e-20 -8.54935871492106e-20 -2.8048505243121e-19 -5.2895060483193e-19 -8.497848736137959e-19 -1.27081446255612e-18 ] } }