{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 7.91723 7.386746 7.057973 6.819102 6.631378 6.476715 6.345193 6.23078 6.129532 6.038731 5.956421 5.881148 5.811804 5.747522 5.687614 5.631521 5.578787 5.529033 5.481939 5.437235 5.39469 5.354106 5.31531 5.27815 5.240583 5.201871 5.16194 5.120712 5.078099 5.034006 4.988326 4.94094 4.891715 4.840505 4.78714 4.731433 4.673168 4.612098 4.547941 4.480367 4.408992 4.333362 4.252939 4.167071 4.07497 3.975658 3.86791 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.917230000000001e-10 7.386746e-10 7.057973e-10 6.819102e-10 6.631378e-10 6.476715000000001e-10 6.345193e-10 6.230780000000001e-10 6.129532e-10 6.038731000000001e-10 5.956421e-10 5.881148e-10 5.811804000000001e-10 5.747522e-10 5.687614e-10 5.631521e-10 5.578787e-10 5.529033e-10 5.481938999999999e-10 5.437235e-10 5.39469e-10 5.354106e-10 5.31531e-10 5.27815e-10 5.240583e-10 5.201870999999999e-10 5.161940000000001e-10 5.120712e-10 5.078099e-10 5.034006e-10 4.988326e-10 4.94094e-10 4.891714999999999e-10 4.840505000000001e-10 4.78714e-10 4.731433e-10 4.673168e-10 4.612098e-10 4.547941e-10 4.480367e-10 4.4089919999999995e-10 4.3333620000000006e-10 4.252939e-10 4.167071e-10 4.0749700000000007e-10 3.975658e-10 3.86791e-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" [ -0.000163804 -0.0123321 -0.039709 -0.0749284 -0.114097 -0.155234 -0.197266 -0.23958 -0.281812 -0.323743 -0.365237 -0.406216 -0.446631 -0.486458 -0.525687 -0.564317 -0.602352 -0.639804 -0.676684 -0.713006 -0.747709 -0.665136 0.346035 2.15153 2.11603 2.07845 2.03884 1.99717 1.95341 1.90757 1.85964 1.80965 1.75756 1.70312 1.64599 1.58577 1.52198 1.45402 1.38117 1.30254 1.217 1.12315 1.01917 1.09157 1.6787 2.39559 2.21854 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.62442941355736e-23 -1.97582024681514e-21 -6.3620831959506e-21 -1.200485317030056e-20 -1.82803547409498e-20 -2.48712287602356e-20 -3.16054975882644e-20 -3.8384947797371997e-20 -4.51512601580808e-20 -5.1869347002106195e-20 -5.851741872722579e-20 -6.50829783556944e-20 -7.15581752220054e-20 -7.79391641022372e-20 -8.42243428197558e-20 -9.041355115689779e-20 -9.65074299843168e-20 -1.025079019139736e-19 -1.0841672934016558e-19 -1.142361553101804e-19 -1.1979618888315059e-19 -1.0656653576322238e-19 5.5440919154619e-20 3.44713109335002e-19 3.3902538228430195e-19 3.3300440249373e-19 3.26658180846456e-19 3.1998191081257797e-19 3.1297078586219397e-19 3.0562640817193797e-19 2.97947175565176e-19 2.8993789457181e-19 2.81592156485304e-19 2.7286990688980795e-19 2.63716671779766e-19 2.54068364089818e-19 2.43848079341532e-19 2.32959686936868e-19 2.21287830158178e-19 2.0868991528503598e-19 1.949848963578e-19 1.7994846864771001e-19 1.6328903600737797e-19 1.7488879483753797e-19 2.6895739154958e-19 3.83815832264406e-19 3.5544929495943597e-19 ] } }