{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.02615 7.488369 7.155074 6.912917 6.722611 6.565821 6.43249 6.316503 6.213863 6.121813 6.03837 5.962062 5.891764 5.826598 5.765866 5.709002 5.655543 5.605104 5.557362 5.512043 5.468913 5.427771 5.388441 5.35077 5.312686 5.273441 5.232961 5.191165 5.147966 5.103266 5.056957 5.008919 4.959017 4.907101 4.853003 4.796529 4.737462 4.675552 4.610512 4.542008 4.46965 4.39298 4.311449 4.2244 4.131031 4.030353 3.921122 3.80175 3.670159 3.523559 3.358081 3.168134 2.945204 2.67538 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.02615e-10 7.488369e-10 7.155074e-10 6.912917e-10 6.722611e-10 6.565821e-10 6.43249e-10 6.316503e-10 6.213863e-10 6.121813000000001e-10 6.038369999999999e-10 5.962062000000001e-10 5.891764e-10 5.826598e-10 5.765866e-10 5.709002e-10 5.655543e-10 5.605104e-10 5.557362e-10 5.512043e-10 5.468913e-10 5.427771e-10 5.388441e-10 5.35077e-10 5.312686e-10 5.273441e-10 5.232961e-10 5.191165e-10 5.147966000000001e-10 5.103266e-10 5.056957e-10 5.008919e-10 4.959017e-10 4.907101e-10 4.853003000000001e-10 4.796529e-10 4.737462e-10 4.675552e-10 4.610512e-10 4.5420080000000004e-10 4.4696499999999997e-10 4.39298e-10 4.311449e-10 4.2244000000000004e-10 4.131031e-10 4.030353e-10 3.9211220000000003e-10 3.8017500000000003e-10 3.6701590000000003e-10 3.5235590000000005e-10 3.358081e-10 3.168134e-10 2.945204e-10 2.67538e-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" [ 0.0188231 0.304443 0.601218 1.38087 1.68278 1.88574 2.04483 2.17622 2.28762 2.38355 2.46695 2.53796 2.59879 2.65311 2.70156 2.7443 2.7817 2.81396 2.84116 2.86334 2.88055 2.89281 2.90015 2.9026 2.89989 2.89091 2.87423 2.84802 2.81006 2.75754 2.68699 2.59399 2.47296 2.31679 2.1166 1.86123 1.53625 1.12286 0.596256 -0.0766018 -0.940417 -2.0568 -3.51224 -5.42999 -7.9904 -11.4619 -16.2494 -22.9723 -32.587 -46.5593 -67.0407 -96.7729 -137.495 -183.712 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0157930999445397e-21 4.87771460984862e-20 9.63257431540212e-20 2.21239764859158e-19 2.69611079616252e-19 3.02128856579916e-19 3.27617884650222e-19 3.4866888344434793e-19 3.66517131147108e-19 3.8188681159706997e-19 3.9524896472463e-19 4.0662602100266398e-19 4.16372061467286e-19 4.2507508494317393e-19 4.32837630734904e-19 4.3968533366862e-19 4.4567747427978e-19 4.50846096101064e-19 4.552040165455439e-19 4.587576443197559e-19 4.6151499030687e-19 4.634792588601539e-19 4.646552565095099e-19 4.6504778978484e-19 4.64613599917026e-19 4.631748452996939e-19 4.60502414674182e-19 4.56303109716468e-19 4.50221247213804e-19 4.41806615532036e-19 4.30503259379166e-19 4.156030166829659e-19 3.9621187288166396e-19 3.71190680388486e-19 3.3911670635244e-19 2.98201921649982e-19 2.4613438539824995e-19 1.7990200552532397e-19 9.55307431082304e-20 -1.2272961408234118e-20 -1.5067141436163777e-19 -3.2953569008111996e-19 -5.62722886100016e-19 -8.69980310085366e-19 -1.2802032176313598e-18 -1.8363988361244597e-18 -2.60344089965196e-18 -3.68056822892382e-18 -5.2210129972158e-18 -7.459622255539619e-18 -1.074110430670038e-17 -1.550472791844186e-17 -2.2029127629183e-17 -2.94339073785408e-17 ] } }