{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 7.8284 7.303868 6.978783 6.742592 6.556975 6.404047 6.274001 6.160871 6.06076 5.970978 5.889591 5.815163 5.746597 5.683036 5.6238 5.568336 5.516194 5.466998 5.420432 5.37623 5.334163 5.294034 5.255673 5.21893 5.181785 5.143506 5.104024 5.063258 5.021124 4.977525 4.932358 4.885503 4.836831 4.786195 4.733429 4.678347 4.620736 4.560351 4.496914 4.430098 4.359524 4.284743 4.205221 4.120317 4.02925 3.931052 3.824513 3.708083 3.579734 3.436747 3.275347 3.090081 2.872645 2.60947 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.828400000000001e-10 7.303868e-10 6.978783e-10 6.742592000000001e-10 6.556975e-10 6.404047e-10 6.274001000000001e-10 6.160871e-10 6.06076e-10 5.970978e-10 5.889591e-10 5.815163e-10 5.746597000000001e-10 5.683036000000001e-10 5.623800000000001e-10 5.568336e-10 5.516194e-10 5.466998e-10 5.420432e-10 5.37623e-10 5.334163000000001e-10 5.294034e-10 5.255673e-10 5.218930000000001e-10 5.181785e-10 5.143506000000001e-10 5.104024000000001e-10 5.063258000000001e-10 5.021124000000001e-10 4.977525e-10 4.932357999999999e-10 4.885503e-10 4.836831e-10 4.786195e-10 4.733429e-10 4.678347e-10 4.620736e-10 4.560351e-10 4.4969140000000006e-10 4.4300980000000004e-10 4.3595240000000007e-10 4.284743e-10 4.205221e-10 4.120317e-10 4.0292500000000003e-10 3.931052e-10 3.824513e-10 3.708083e-10 3.5797340000000006e-10 3.436747e-10 3.275347e-10 3.090081e-10 2.872645e-10 2.60947e-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" [ 0.635717 0.871527 1.0435 1.17864 1.28892 1.38095 1.45883 1.52534 1.58241 1.6315 1.67371 1.7099 1.74077 1.76688 1.80708 1.85113 1.87195 1.88789 1.9009 1.91119 1.91893 1.9243 1.92742 1.92844 1.92735 1.92384 1.91747 1.90777 1.89412 1.87581 1.85199 1.82161 1.78341 1.75431 1.71137 1.64457 1.56187 1.45997 1.3344 1.17939 0.987427 0.74866 0.449919 0.0733631 -0.405632 -1.02159 -1.825 -2.89034 -4.33259 -6.33672 -9.21663 -13.5423 -20.4441 -32.4482 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0185309232365779e-19 1.396340195300118e-19 1.671871317579e-19 1.8883894678977597e-19 2.06507750709528e-19 2.2125258227223e-19 2.33730333897822e-19 2.4438641069055597e-19 2.53530032740794e-19 2.6139511783709997e-19 2.68157905409214e-19 2.7395618264765996e-19 2.7890210191681797e-19 2.8308538510819196e-19 2.89526135176872e-19 2.9658372324964198e-19 2.9991945500163e-19 3.02473324556226e-19 3.0455775635706e-19 3.0620639611344596e-19 3.0744648082816197e-19 3.0830684968061994e-19 3.08806728790428e-19 3.0897015080709595e-19 3.0879551355398994e-19 3.0823314955545597e-19 3.0721256303959797e-19 3.05658451704618e-19 3.03471480599208e-19 3.0053789518235396e-19 2.96721510440166e-19 2.91854097826074e-19 2.8573378308419398e-19 2.81071449079254e-19 2.74191702612858e-19 2.63489162697738e-19 2.50239161934558e-19 2.33912982034098e-19 2.1379445004096e-19 1.8895911003732598e-19 1.582032467180718e-19 1.1994855588104398e-19 7.20849708992646e-20 1.1754064461780539e-20 -6.49894112402688e-20 -1.63676762752806e-19 -2.92397235705e-19 -4.63083521231556e-19 -6.941574462702059e-19 -1.015254472020048e-18 -1.476666923022342e-18 -2.16971566306182e-18 -3.2755059323159394e-18 -5.19877478553588e-18 ] } }