{ "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" [ "Pa" "Pa" "Pa" "Pa" "Pa" "Pa" "Pa" "Pa" ] } "a" { "source-value" [ 13.3425 12.448497 11.89443 11.491871 11.175508 10.91486 10.693212 10.500396 10.329769 10.176746 10.038031 9.911178 9.794315 9.685983 9.585022 9.490492 9.401621 9.317772 9.238406 9.163069 9.091371 9.022976 8.957594 8.89497 8.831661 8.766421 8.699127 8.629648 8.557835 8.483528 8.406545 8.326688 8.243733 8.15743 8.067498 7.973618 7.875427 7.77251 7.664389 7.550511 7.430226 7.302771 7.167237 7.02253 6.867317 6.699952 6.51837 6.31993 6.101178 5.857475 5.58239 5.266628 4.896037 4.44749 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.33425e-09 1.2448497e-09 1.1894430000000001e-09 1.1491871e-09 1.1175508000000002e-09 1.0914859999999999e-09 1.0693212000000002e-09 1.0500396000000001e-09 1.0329769000000001e-09 1.0176746e-09 1.0038031000000001e-09 9.911178e-10 9.794314999999999e-10 9.685983e-10 9.585022e-10 9.490492e-10 9.401621e-10 9.317772e-10 9.238406e-10 9.163069000000001e-10 9.091371000000001e-10 9.022976e-10 8.957594e-10 8.894970000000001e-10 8.831661000000001e-10 8.766420999999999e-10 8.699127000000001e-10 8.629648e-10 8.557835000000001e-10 8.483528e-10 8.406545e-10 8.326688000000001e-10 8.243733000000001e-10 8.15743e-10 8.067498000000001e-10 7.973618000000001e-10 7.875427000000001e-10 7.77251e-10 7.664389000000001e-10 7.550511e-10 7.430226000000001e-10 7.302771e-10 7.167237e-10 7.02253e-10 6.867317e-10 6.699952e-10 6.518370000000001e-10 6.31993e-10 6.101178e-10 5.857475e-10 5.58239e-10 5.266628e-10 4.896037e-10 4.4474900000000003e-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" [ 0.585125 0.87707 1.13366 1.36882 1.58864 1.79455 1.98881 2.1714 2.34292 2.50371 2.65412 2.79444 2.92431 3.04365 3.15283 3.25167 3.3396 3.41644 3.48201 3.53607 3.5784 3.60878 3.62748 3.6338 3.62667 3.60283 3.55788 3.48655 3.38145 3.23342 3.03063 2.75768 2.39429 1.91379 1.2799 0.443667 -0.661519 -2.13058 -4.09696 -6.75179 -10.3792 -15.4061 -22.4964 -32.7061 -47.7786 -70.711 -106.904 -166.676 -271.149 -467.496 -873.412 -1828.92 -4537.26 -14746 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.374736029692499e-20 1.40522106038238e-19 1.8163235629004398e-19 2.19309142015188e-19 2.54528188783776e-19 2.8751860785447e-19 3.1864249114655396e-19 3.4789663430676e-19 3.7537716793312796e-19 4.0113856603121396e-19 4.2523690478320795e-19 4.47718647311496e-19 4.68526115257254e-19 4.876464912074099e-19 5.051390556974219e-19 5.209749695478779e-19 5.350629086906399e-19 5.473740339462959e-19 5.578795061354339e-19 5.66540873018838e-19 5.733228867105599e-19 5.78190299324652e-19 5.8118636963023195e-19 5.8219894526292e-19 5.810565933228779e-19 5.7723700422742195e-19 5.700352202575919e-19 5.586068943272699e-19 5.4176801790393e-19 5.18050997190828e-19 4.855604572299419e-19 4.41829046004912e-19 3.836075493019859e-19 3.06622962038286e-19 2.0506258738566e-19 7.10832900676878e-20 -1.0598702847470458e-19 -3.41356549286772e-19 -6.564053582432639e-19 -1.081756017567486e-18 -1.6629311719612801e-18 -2.46832934410674e-18 -3.60432064291176e-18 -5.2400949209267396e-18 -7.65497565252324e-18 -1.13291511966774e-17 -1.71279090881136e-17 -2.6704439264858396e-17 -4.34428592132466e-17 -7.490111676884639e-17 -1.399360298255208e-16 -2.93025288945528e-16 -7.26949195438284e-16 -2.3625696644964e-15 ] } }