{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 13.1547 12.273286 11.727022 11.330131 11.018223 10.761246 10.542719 10.352619 10.184394 10.033526 9.896765 9.771697 9.65648 9.549674 9.450135 9.356935 9.269317 9.186648 9.1084 9.034124 8.963435 8.896003 8.831542 8.7698 8.707382 8.643059 8.576713 8.508211 8.437409 8.364147 8.288248 8.209514 8.127726 8.042638 7.953971 7.861412 7.764602 7.663134 7.556535 7.444258 7.325666 7.200005 7.066378 6.923707 6.770678 6.605668 6.426641 6.230993 6.015319 5.775045 5.503831 5.192512 4.827136 4.3849 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.31547e-09 1.2273286000000001e-09 1.1727022e-09 1.1330131e-09 1.1018223000000001e-09 1.0761246e-09 1.0542719000000001e-09 1.0352619000000002e-09 1.0184394e-09 1.0033526e-09 9.896765000000002e-10 9.771697e-10 9.65648e-10 9.549674e-10 9.450135e-10 9.356935e-10 9.269316999999999e-10 9.186648e-10 9.1084e-10 9.034124e-10 8.963435000000001e-10 8.896003000000001e-10 8.831542000000001e-10 8.7698e-10 8.707382000000001e-10 8.643058999999999e-10 8.576713e-10 8.508211e-10 8.437409000000001e-10 8.364147000000002e-10 8.288248e-10 8.209514000000001e-10 8.127726e-10 8.042638e-10 7.953971000000001e-10 7.861412e-10 7.764602e-10 7.663134000000001e-10 7.556535000000001e-10 7.444258e-10 7.325666e-10 7.200005e-10 7.066378000000001e-10 6.923707000000001e-10 6.770678e-10 6.605668e-10 6.426641e-10 6.230993e-10 6.015319e-10 5.775045000000001e-10 5.503831e-10 5.192512e-10 4.827136000000001e-10 4.3849e-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" [ 0.363156 0.462382 0.531759 0.585152 0.62837 0.664445 0.695165 0.72167 0.744736 0.764913 0.782611 0.798141 0.811748 0.823628 0.833941 0.84282 0.850379 0.856713 0.861905 0.866027 0.869143 0.87131 0.872578 0.872991 0.872546 0.871106 0.86849 0.864482 0.858827 0.851212 0.841263 0.828524 0.812438 0.79232 0.767321 0.736383 0.698175 0.651008 0.592719 0.520506 0.4307 0.318426 0.177114 -0.00223866 -0.23221 -0.530757 -0.924168 -1.45208 -2.17638 -3.1978 -4.68899 -6.96548 -10.6542 -17.1496 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.818400576969039e-20 7.408176363821879e-20 8.51971844719206e-20 9.375168617383679e-20 1.0067597315065799e-19 1.0645582535781299e-19 1.11377711977461e-19 1.15624281145878e-19 1.193198617698624e-19 1.2255257356428418e-19 1.253881057711374e-19 1.2787628608373938e-19 1.300563678296232e-19 1.3195975367081519e-19 1.336120784334594e-19 1.3503465106678799e-19 1.362457363844286e-19 1.3726055506440417e-19 1.38092405172777e-19 1.387528223813118e-19 1.392520606204662e-19 1.39599252297054e-19 1.398024082942452e-19 1.3986857818922938e-19 1.397972813290164e-19 1.395665678937204e-19 1.3914743848626598e-19 1.3850528609135878e-19 1.375992552048318e-19 1.3637919769804079e-19 1.3478519216487418e-19 1.327441793508216e-19 1.301669180173692e-19 1.26943659065088e-19 1.229383776977514e-19 1.1798156362748218e-19 1.1185996714429498e-19 1.0430298061470719e-19 9.496405323278459e-20 8.339425510568039e-20 6.900574762638e-20 5.1017469685808393e-20 2.83767912354276e-20 -3.58672874347044e-22 -3.7204143618114e-20 -8.50366463731938e-20 -1.4806803754905119e-19 -2.3264886466987197e-19 -3.4869451827049197e-19 -5.123440440205199e-19 -7.51259021505966e-19 -1.115992930059432e-18 -1.7069910293962798e-18 -2.7476688402446397e-18 ] } }