{ "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 5.193916 5.16759 5.139807 5.110395 5.079152 5.045835 5.010148 4.971728 4.930122 4.884753 4.834872 4.779482 4.717213 4.646111 4.563248 4.463948 4.340035 4.17514 ] "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 5.193916e-10 5.16759e-10 5.139807e-10 5.110395e-10 5.079152e-10 5.045835e-10 5.010148e-10 4.971728e-10 4.930122e-10 4.884753e-10 4.834872e-10 4.779482e-10 4.717213e-10 4.6461110000000005e-10 4.563248e-10 4.4639480000000003e-10 4.3400350000000003e-10 4.17514e-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 1.92795 1.92634 1.92336 1.9187 1.91195 1.90258 1.88992 1.87304 1.85067 1.82107 1.78173 1.75082 1.69303 1.59996 1.46524 1.26099 0.928872 0.323689 ] "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 3.0889164415203e-19 3.0863369371395597e-19 3.0815624507702397e-19 3.0740963076558e-19 3.0632816153763e-19 3.0482692203157197e-19 3.0279856641292797e-19 3.00094092254736e-19 2.96510023124478e-19 2.91767580287838e-19 2.85464617409682e-19 2.80512289433988e-19 2.71253310666102e-19 2.56341852733464e-19 2.34757329120216e-19 2.02032871370766e-19 1.4882170143768479e-19 5.1860695248282595e-20 ] } }