{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 8.97573 8.374323 8.001595 7.730788 7.517967 7.342626 7.19352 7.063811 6.949027 6.846087 6.752772 6.667436 6.588821 6.515945 6.448027 6.384435 6.324651 6.268244 6.214854 6.164174 6.115941 6.069931 6.025948 5.98382 5.941231 5.897342 5.852073 5.805332 5.757023 5.707034 5.655247 5.601525 5.54572 5.487662 5.427163 5.364008 5.297952 5.228718 5.155983 5.079375 4.998457 4.912716 4.821539 4.724192 4.619777 4.507187 4.385033 4.251538 4.104379 3.940436 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.975730000000001e-10 8.374323000000001e-10 8.001595e-10 7.730788000000001e-10 7.517967e-10 7.342626e-10 7.19352e-10 7.063811e-10 6.949027e-10 6.846087e-10 6.752772e-10 6.667436e-10 6.588821000000001e-10 6.515945e-10 6.448027e-10 6.384435e-10 6.324651000000001e-10 6.268244000000001e-10 6.214854e-10 6.164174e-10 6.115941e-10 6.069931e-10 6.025948e-10 5.98382e-10 5.941231000000001e-10 5.897342e-10 5.852073000000001e-10 5.805332e-10 5.757023e-10 5.707034000000001e-10 5.655247000000001e-10 5.601524999999999e-10 5.54572e-10 5.487662000000001e-10 5.427163e-10 5.364008000000001e-10 5.297952000000001e-10 5.228718e-10 5.155983e-10 5.079375e-10 4.998457000000001e-10 4.912716e-10 4.821538999999999e-10 4.724192000000001e-10 4.6197770000000003e-10 4.507187e-10 4.385033e-10 4.251538e-10 4.104379e-10 3.9404360000000003e-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" [ 1.26636 1.16641 0.540679 0.462924 0.65035 0.987975 1.21008 1.18187 1.16901 1.27989 1.42487 1.53773 1.59881 1.64099 1.69753 1.78207 1.89185 2.01326 2.13108 2.23549 2.32003 2.38045 2.41557 2.42647 2.41643 2.38763 2.34333 2.28838 2.22852 2.17153 2.11855 2.05487 1.9799 1.89417 1.79025 1.63126 1.37613 0.971222 0.35465 -0.538595 -1.55157 -2.53315 -3.63711 -5.0833 -7.35058 -10.7648 -15.8187 -22.5729 -30.2475 -37.571 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0289324022322398e-19 1.8687948476639398e-19 8.66263260294486e-20 7.41686016117816e-20 1.0419755739218999e-19 1.58291045997615e-19 1.93876190127072e-19 1.89356449842558e-19 1.87296050691234e-19 2.0506098520902598e-19 2.28289342048758e-19 2.46371507540082e-19 2.5615760242055397e-19 2.6291558346276597e-19 2.71974290151402e-19 2.85519091415238e-19 3.0310778650328997e-19 3.2255981301668395e-19 3.41436658118472e-19 3.58164984354066e-19 3.71709785617902e-19 3.8139013684053e-19 3.87016981179138e-19 3.88763353710198e-19 3.87154768369662e-19 3.82540499663742e-19 3.7544285717512197e-19 3.66638896571292e-19 3.5704826724016797e-19 3.47917462603002e-19 3.3942913079606998e-19 3.29226469990758e-19 3.1721495176566e-19 3.0347949148237795e-19 2.8682967190185e-19 2.61356665597884e-19 2.20480333134642e-19 1.556069194826748e-19 5.682119432481e-20 -8.6292432418923e-20 -2.48588920001538e-19 -4.0585537404171e-19 -5.827292657287739e-19 -8.1443444836122e-19 -1.1776927522347719e-18 -1.7247111029683197e-18 -2.5344351520255797e-18 -3.61657729416186e-18 -4.846183773691499e-18 -6.019537831601399e-18 ] } }