{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pm" "Pm" "Pm" "Pm" ] } "a" { "source-value" [ 8.21033 7.660207 7.319263 7.071548 6.876875 6.716486 6.580095 6.461446 6.356451 6.262288 6.176931 6.098872 6.02696 5.960299 5.898172 5.840003 5.785317 5.733721 5.684883 5.638524 5.594405 5.552318 5.512085 5.47355 5.434593 5.394447 5.353038 5.310283 5.266093 5.220368 5.172996 5.123856 5.072809 5.019703 4.964363 4.906593 4.846171 4.782841 4.716309 4.646233 4.572215 4.493786 4.410385 4.321338 4.225828 4.122839 4.011102 3.888992 3.754382 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.210330000000001e-10 7.660207e-10 7.319263e-10 7.071548000000001e-10 6.876875000000001e-10 6.716486e-10 6.580095e-10 6.461446e-10 6.356451e-10 6.262288e-10 6.176931e-10 6.098872e-10 6.02696e-10 5.960299e-10 5.898172e-10 5.840003e-10 5.785317e-10 5.733721e-10 5.684883e-10 5.638524e-10 5.594405e-10 5.552318e-10 5.512085e-10 5.47355e-10 5.434593e-10 5.394447000000001e-10 5.353038e-10 5.310283000000001e-10 5.266093e-10 5.220368e-10 5.172996e-10 5.123856e-10 5.072809e-10 5.019703e-10 4.964363e-10 4.906593e-10 4.846171e-10 4.782841000000001e-10 4.716309e-10 4.6462329999999996e-10 4.572215e-10 4.493786e-10 4.410385e-10 4.321338e-10 4.225828e-10 4.122839e-10 4.0111020000000004e-10 3.888992e-10 3.7543820000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 4.38154 6.54691 8.46306 10.2166 11.8458 13.3699 14.8066 16.1585 17.4286 18.6223 19.7384 20.7772 21.7394 22.6256 23.4334 24.1616 24.8094 25.3771 25.8613 26.2605 26.573 26.7983 26.9371 26.9839 26.9312 26.7549 26.4224 25.8926 25.1126 24.0149 22.5124 20.4947 17.8081 14.2539 9.56604 3.38091 -4.79846 -15.6653 -30.2097 -49.8538 -76.6963 -113.899 -166.364 -241.902 -353.407 -523.047 -790.792 -1232.93 -2005.7 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.02000100893636e-19 1.0489306226900939e-18 1.355931698414004e-18 1.6368797798924397e-18 1.89790639710372e-18 2.1420941378916596e-18 2.3722788548984396e-18 2.5888771140489e-18 2.79236956833324e-18 2.9836213931338197e-18 3.1624403272545596e-18 3.32887443599448e-18 3.4830358717179595e-18 3.625020765023039e-18 3.7544445935175595e-18 3.87111509600544e-18 3.9749040983559595e-18 4.065859665868139e-18 4.14343705848642e-18 4.2073959497156995e-18 4.2574639695282e-18 4.2935610090922195e-18 4.31579922077214e-18 4.323297407419259e-18 4.31485393655808e-18 4.286607562500659e-18 4.23333518942016e-18 4.14845187135084e-18 4.02348209389884e-18 3.84761116478466e-18 3.606884125526159e-18 3.28361294608398e-18 2.8531721715935396e-18 2.2837265523372597e-18 1.5326485767909357e-18 5.41681500365694e-19 -7.68798049118364e-19 -2.5098577624600197e-18 -4.84012754601498e-18 -7.98745934761092e-18 -1.2288101977425418e-17 -1.82486316435966e-17 -2.66544513538776e-17 -3.8756973211786794e-17 -5.662204376920379e-17 -8.38013681883798e-17 -1.266988464754128e-16 -1.97537163735762e-16 -3.2134856748137997e-16 ] } }