{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 5.51541 5.145857 4.916823 4.750418 4.619643 4.5119 4.420277 4.340573 4.270041 4.206786 4.149446 4.097008 4.048701 4.00392 3.962186 3.92311 3.886374 3.851713 3.818906 3.787764 3.758126 3.729854 3.702827 3.67694 3.659317 3.640769 3.621195 3.600473 3.578461 3.554988 3.529845 3.502777 3.473464 3.4415 3.406357 3.367332 3.323461 3.273367 3.214987 3.145026 3.057725 2.94155 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51541e-10 5.145857000000001e-10 4.916823e-10 4.750418e-10 4.619643e-10 4.5119e-10 4.4202769999999996e-10 4.340573e-10 4.270041e-10 4.206786e-10 4.1494460000000004e-10 4.097008e-10 4.0487010000000005e-10 4.00392e-10 3.962186e-10 3.92311e-10 3.886374e-10 3.8517130000000003e-10 3.8189060000000005e-10 3.7877640000000005e-10 3.758126e-10 3.729854e-10 3.702827e-10 3.6769400000000003e-10 3.659317e-10 3.6407690000000004e-10 3.6211950000000003e-10 3.6004730000000003e-10 3.578461e-10 3.554988e-10 3.529845e-10 3.502777e-10 3.473464e-10 3.4415e-10 3.406357e-10 3.367332e-10 3.323461e-10 3.273367e-10 3.214987e-10 3.145026e-10 3.057725e-10 2.94155e-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" [ 3.26446 1.25567 1.24359 0.697335 0.927971 1.18721 1.45236 1.67697 1.88509 2.24386 2.65995 3.06117 3.41098 3.72444 4.01859 4.29894 4.56703 4.81963 5.05415 5.33771 5.63009 5.88436 6.06041 6.12517 6.09055 5.97785 5.77643 5.48652 5.11776 4.67496 4.17195 3.63499 3.10914 2.66471 2.33089 2.05034 1.69348 1.19691 0.297636 -0.944586 -0.425971 4.56683 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.230241491536769e-19 2.0118051174399363e-19 1.992450823860672e-19 1.117253833865568e-19 1.4867734409803968e-19 1.9021201059799682e-19 2.326937236985088e-19 2.686802127782976e-19 3.0202471261038723e-19 3.5950600323482887e-19 4.26170970249696e-19 4.904535006294337e-19 5.464992410016385e-19 5.967210693572352e-19 6.438490946580672e-19 6.887661162221953e-19 7.317188692492224e-19 7.721898506906304e-19 8.09764096801632e-19 8.551954170610369e-19 9.020398570999873e-19 9.427784020370688e-19 9.709847214462528e-19 9.813604172425536e-19 9.758136817813441e-19 9.577571512649281e-19 9.254861097687746e-19 8.790374073551616e-19 8.199555422865408e-19 7.490111615175167e-19 6.6842007531465605e-19 5.823895994841793e-19 4.981391418794112e-19 4.269336063211968e-19 3.734497463656512e-19 3.285006812691072e-19 2.7132540637923844e-19 1.917661219201728e-19 4.7686544070842885e-20 -1.5133936055349889e-19 -6.824807773387968e-20 7.316868257168065e-19 ] } }