{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.2407 9.554531 9.12927 8.820296 8.577479 8.377426 8.207305 8.059315 7.928354 7.810905 7.704438 7.607075 7.517379 7.434232 7.356742 7.284188 7.215978 7.151621 7.090706 7.032883 6.977852 6.925358 6.875175 6.82711 6.794389 6.759951 6.723606 6.685132 6.644262 6.600678 6.553994 6.503736 6.44931 6.389961 6.32471 6.252253 6.170796 6.077784 5.969388 5.83949 5.677395 5.46169 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0240700000000002e-09 9.554531000000002e-10 9.12927e-10 8.820296000000001e-10 8.577479e-10 8.377426e-10 8.207305e-10 8.059315e-10 7.928354e-10 7.810905e-10 7.704438e-10 7.607075e-10 7.517379e-10 7.434232e-10 7.356742e-10 7.284188000000001e-10 7.215978e-10 7.151621e-10 7.090706e-10 7.032883e-10 6.977852e-10 6.925358000000001e-10 6.875174999999999e-10 6.82711e-10 6.794389e-10 6.759951e-10 6.723606e-10 6.685132000000001e-10 6.644262000000001e-10 6.600678000000001e-10 6.553994e-10 6.503736e-10 6.44931e-10 6.389961e-10 6.32471e-10 6.252253e-10 6.170796000000001e-10 6.077784000000001e-10 5.969388e-10 5.83949e-10 5.677395e-10 5.46169e-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" [ 0.274409 0.403162 0.50422 0.587807 0.659232 0.724094 0.78032 0.828602 0.871053 0.908545 0.941661 0.970856 0.996508 1.01896 1.03853 1.05564 1.07077 1.08392 1.09469 1.10304 1.10923 1.11348 1.11595 1.11676 1.11637 1.11509 1.11273 1.10902 1.10364 1.09617 1.08604 1.0725 1.05453 1.0307 0.998927 0.956176 0.897743 0.816081 0.698595 0.520781 0.230244 -0.299162 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.396516843371072e-20 6.459367307949696e-20 8.07849495739776e-20 9.417706329425857e-20 1.0562060980832258e-19 1.1601264780615554e-19 1.250210460742656e-19 1.3275667523481215e-19 1.3955807520777024e-19 1.455649557944736e-19 1.5087072389191488e-19 1.555482785363405e-19 1.5965818200401664e-19 1.6325538895303682e-19 1.663908485999424e-19 1.691321727981312e-19 1.7155626602540162e-19 1.736631282817536e-19 1.753886725023552e-19 1.7672648998072322e-19 1.777182373089984e-19 1.783991623728384e-19 1.7879489999817602e-19 1.789246763044608e-19 1.7886219141624961e-19 1.786571128087872e-19 1.782789991262784e-19 1.776845915999616e-19 1.768226205779712e-19 1.7562579464223362e-19 1.740027897253632e-19 1.7183344258080002e-19 1.689543311932224e-19 1.65136344305856e-19 1.6004574852858817e-19 1.531962832570061e-19 1.4383428460868545e-19 1.3075058988790847e-19 1.119272576407776e-19 8.343831427568449e-20 3.688915538794752e-20 -4.793103622317696e-20 ] } }