{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 11.9591 11.157799 10.661185 10.300369 10.016811 9.783191 9.584526 9.411704 9.25877 9.121614 8.997283 8.883583 8.778839 8.68174 8.591248 8.50652 8.426865 8.35171 8.280574 8.213049 8.148785 8.087482 8.02888 7.97275 7.916005 7.857528 7.797212 7.734936 7.670568 7.603965 7.534963 7.463385 7.389031 7.311676 7.231067 7.14692 7.058909 6.966663 6.869752 6.76768 6.659866 6.545625 6.424143 6.294438 6.155317 6.005304 5.842548 5.664682 5.468609 5.250173 5.003607 4.720583 4.388413 3.98637 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.19591e-09 1.1157799e-09 1.0661185e-09 1.0300369e-09 1.0016811000000001e-09 9.783191000000001e-10 9.584526000000001e-10 9.411704e-10 9.258770000000001e-10 9.121613999999999e-10 8.997283e-10 8.883583e-10 8.778839e-10 8.681739999999999e-10 8.591248e-10 8.506520000000001e-10 8.426864999999999e-10 8.351710000000001e-10 8.280574e-10 8.213049000000001e-10 8.148785e-10 8.087482e-10 8.02888e-10 7.97275e-10 7.916005000000001e-10 7.857528000000001e-10 7.797212e-10 7.734936000000001e-10 7.670568e-10 7.603965e-10 7.534963000000001e-10 7.463385e-10 7.389031000000001e-10 7.311676e-10 7.231067000000001e-10 7.14692e-10 7.058909e-10 6.966663e-10 6.869752000000001e-10 6.76768e-10 6.659866e-10 6.545625e-10 6.424143e-10 6.294438e-10 6.155317000000001e-10 6.005304e-10 5.842548e-10 5.664682000000001e-10 5.468609e-10 5.250173000000001e-10 5.003607e-10 4.720583000000001e-10 4.388413e-10 3.98637e-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 0.490447 0.526755 0.555759 0.57964 0.599684 0.616722 0.631326 0.643911 0.654787 0.664193 0.672319 0.679316 0.685311 0.690407 0.694691 0.698239 0.701114 0.703371 0.705059 0.706221 0.706893 0.707111 0.70688 0.706138 0.704805 0.702784 0.699964 0.696212 0.691369 0.685247 0.677619 0.668212 0.656693 0.642655 0.625597 0.604894 0.579765 0.551042 0.520692 0.475561 0.419961 0.351002 0.264751 0.155751 0.0162496 -0.151572 -0.389833 -0.713389 -1.16623 -1.82531 -2.8362 -4.50521 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 7.85782723615398e-20 8.439545528426699e-20 8.904240839352059e-20 9.2868566413176e-20 9.60799692583656e-20 9.88097578073748e-20 1.011495765636684e-19 1.031659158575574e-19 1.049084431646958e-19 1.064154505066362e-19 1.077173792394246e-19 1.088384222302344e-19 1.097989271223174e-19 1.106153963350038e-19 1.1130176880500938e-19 1.118702210747526e-19 1.123308468570276e-19 1.1269245812332139e-19 1.1296290553914058e-19 1.1314907846401138e-19 1.132567447338162e-19 1.132916721844374e-19 1.13254661904192e-19 1.131357803979492e-19 1.12922210252637e-19 1.1259841035490558e-19 1.1214659654411759e-19 1.115454598710408e-19 1.107695257271946e-19 1.097886731918598e-19 1.085665328554446e-19 1.070593652958408e-19 1.0521381803113619e-19 1.0296468247232699e-19 1.0023168957004979e-19 9.69147032846796e-20 9.288859362110099e-20 8.82866616752628e-20 8.34240555910728e-20 7.61932722241674e-20 6.72851701391274e-20 5.62367202887268e-20 4.24177866028134e-20 2.49540612922134e-20 2.60347294318464e-21 -2.42845116768648e-20 -6.24581323762122e-20 -1.142975186752626e-19 -1.86850645586982e-19 -2.9244690318065397e-19 -4.544093369350799e-19 -7.21814219326314e-19 ] } }