{ "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" [ 8.71284 8.129048 7.767236 7.504361 7.297773 7.127568 6.982829 6.856919 6.745497 6.645572 6.55499 6.472153 6.395841 6.325099 6.259171 6.197441 6.139408 6.084654 6.032827 5.983631 5.936811 5.892149 5.849454 5.80856 5.78072 5.75142 5.720498 5.687764 5.652991 5.61591 5.576191 5.533431 5.487125 5.43663 5.381114 5.319467 5.250163 5.171028 5.078804 4.968285 4.830374 4.64685 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.71284e-10 8.129047999999999e-10 7.767236e-10 7.504361e-10 7.297773e-10 7.127568e-10 6.982829e-10 6.856919e-10 6.745497e-10 6.645572e-10 6.554990000000001e-10 6.472153e-10 6.395841e-10 6.325099e-10 6.259171000000001e-10 6.197441e-10 6.139408000000001e-10 6.084654e-10 6.032827e-10 5.983631e-10 5.936811e-10 5.892149e-10 5.849454e-10 5.808560000000001e-10 5.78072e-10 5.751420000000001e-10 5.720498e-10 5.687764e-10 5.652991e-10 5.61591e-10 5.576191e-10 5.533431e-10 5.487125e-10 5.43663e-10 5.381114e-10 5.319467000000001e-10 5.250163e-10 5.171028e-10 5.078804e-10 4.968285e-10 4.830374e-10 4.64685e-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 0.164748 0.948371 1.40609 1.58967 1.71986 1.8329 1.93181 2.01875 2.09534 2.16287 2.22234 2.27456 2.32022 2.3599 2.39407 2.42316 2.44752 2.46748 2.48331 2.49527 2.50358 2.50843 2.51001 2.50925 2.50674 2.50208 2.49478 2.48419 2.46948 2.44956 2.42295 2.38765 2.34085 2.27852 2.1947 2.08021 1.92019 1.68888 1.31241 0.620006 -0.75199 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.6395539392355842e-20 1.5194578440447168e-19 2.252804524740672e-19 2.546932108787136e-19 2.755519483049088e-19 2.93662952826432e-19 3.095100817827648e-19 3.23439405324e-19 3.3571047606270724e-19 3.465299747829696e-19 3.560581191468672e-19 3.6442468546068483e-19 3.717402239112576e-19 3.7809766074259206e-19 3.8357229825586567e-19 3.8823303004577286e-19 3.921359322940416e-19 3.953338768291584e-19 3.978701224198848e-19 3.9978632565836165e-19 4.011177344302464e-19 4.0189479009133443e-19 4.021479339974208e-19 4.0202616857424007e-19 4.0162402224241926e-19 4.008774079371264e-19 3.9970781900394243e-19 3.980111139625152e-19 3.956543121533184e-19 3.9246277632468483e-19 3.8819938433673605e-19 3.82543700865312e-19 3.7504551427996806e-19 3.650591474025216e-19 3.5162970296697604e-19 3.332863828354368e-19 3.0764835254939523e-19 2.705884051336704e-19 2.1027126189041282e-19 9.933591179557247e-20 -1.2048207970753923e-19 ] } }