{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.66256 8.082136 7.722413 7.461055 7.255659 7.086436 6.942533 6.817349 6.706571 6.607222 6.517163 6.434804 6.358932 6.288598 6.22305 6.161677 6.103979 6.049541 5.998013 5.949101 5.902551 5.858147 5.815698 5.77504 5.747361 5.71823 5.687486 5.654941 5.620369 5.583501 5.544011 5.501498 5.455458 5.405255 5.35006 5.288768 5.219863 5.141185 5.049492 4.939612 4.802495 4.62003 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.662559999999999e-10 8.082136000000001e-10 7.722413000000001e-10 7.461055e-10 7.255658999999999e-10 7.086436000000001e-10 6.942533000000001e-10 6.817349e-10 6.706571e-10 6.607222e-10 6.517163000000001e-10 6.434804e-10 6.358932e-10 6.288598000000001e-10 6.22305e-10 6.161677e-10 6.103979e-10 6.049541e-10 5.998013e-10 5.949101e-10 5.902551e-10 5.858147e-10 5.815698e-10 5.77504e-10 5.747361e-10 5.71823e-10 5.687486e-10 5.654941e-10 5.620369e-10 5.583501000000001e-10 5.544011e-10 5.501498e-10 5.455458e-10 5.405255e-10 5.350060000000001e-10 5.288768000000001e-10 5.219863e-10 5.141185e-10 5.049492000000001e-10 4.939612000000001e-10 4.802495e-10 4.62003e-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" [ -0.976566 -1.07868 -1.07498 -1.02142 -0.941548 -0.851537 -0.760814 -0.682004 -0.626576 -0.591005 -0.570045 -0.557889 -0.549458 -0.541089 -0.53067 -0.517445 -0.50167 -0.484226 -0.466271 -0.44896 -0.433284 -0.421589 -0.414745 -0.412509 -0.4136 -0.417219 -0.424009 -0.434838 -0.450892 -0.473812 -0.505872 -0.550212 -0.611103 -0.694143 -0.806151 -0.953991 -1.14034 -1.35064 -1.51376 -1.3747 0.013102 7.76265 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.564631213868173e-19 -1.7282358773245442e-19 -1.7223078238275843e-19 -1.636495244017536e-19 -1.5085261929609986e-19 -1.3643126731461697e-19 -1.2189584035773314e-19 -1.0926908640920835e-19 -1.0038854183543809e-19 -9.468943937759041e-20 -9.133127718039361e-20 -8.938367128014913e-20 -8.803287617115265e-20 -8.669201455720513e-20 -8.50227067359936e-20 -8.290382815498561e-20 -8.037639453567359e-20 -7.758155763835009e-20 -7.470484951570368e-20 -7.193132156743681e-20 -6.941974949667072e-20 -6.754600393864513e-20 -6.64494742593696e-20 -6.609122756695873e-20 -6.6266025036288e-20 -6.684585275535552e-20 -6.793373068087872e-20 -6.966872774354305e-20 -7.224086209057536e-20 -7.591305090544897e-20 -8.104962915173376e-20 -8.815368028836098e-20 -9.790949395007424e-20 -1.1121396860919743e-19 -1.2915962850345408e-19 -1.528462076653613e-19 -1.827026087763072e-19 -2.1639638311173121e-19 -2.4253108815022083e-19 -2.2025122006137603e-19 2.09917180857216e-21 1.243713634545312e-18 ] } }