{ "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" [ 1.28671 1.81846 2.22276 2.55061 2.82525 3.05974 3.26239 3.43889 3.59335 3.72887 3.84786 3.95224 4.04358 4.12315 4.19205 4.2512 4.30138 4.34328 4.37751 4.40458 4.42497 4.4391 4.44733 4.45 4.44714 4.4379 4.42119 4.39571 4.35994 4.31202 4.24976 4.17053 4.07111 3.94761 3.79525 3.60812 3.37891 3.09841 2.75499 2.33374 1.81541 1.17481 0.378404 -0.619022 -1.87964 -3.49066 -5.57746 -8.3254 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0615366967341399e-19 2.9134941218636397e-19 3.56125413498984e-19 4.0865277444467394e-19 4.526549535208499e-19 4.90224393411516e-19 5.22692502899526e-19 5.509709204896259e-19 5.7571814077839e-19 5.974308385223579e-19 6.164951382903239e-19 6.332186579960159e-19 6.47852939370972e-19 6.606014588477099e-19 6.7164045585597e-19 6.8111733064608e-19 6.891570529954919e-19 6.95870173091952e-19 7.01354423710134e-19 7.05691515858372e-19 7.08958354015098e-19 7.112222295989399e-19 7.125408209687219e-19 7.1296860213e-19 7.12510379612676e-19 7.1102996840286e-19 7.08352731247446e-19 7.04270385184014e-19 6.9853939936419595e-19 6.9086176893406805e-19 6.80886617210784e-19 6.68192571739602e-19 6.522637316443739e-19 6.32476850214474e-19 6.080660870188499e-19 5.780845556668079e-19 5.413610650388939e-19 4.96420010455194e-19 4.41398060490366e-19 3.73906369783116e-19 2.9086074831299397e-19 1.8822531313895396e-19 6.06270047012136e-20 -9.917825843319479e-20 -3.01151528833176e-19 -5.592653889238439e-19 -8.93607608906964e-19 -1.33387613487036e-18 ] } }