{ "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" [ 1.0185309148451136e-19 1.3963401837959618e-19 1.6718713038048003e-19 1.888389452339712e-19 2.0650774900815363e-19 2.21252580449376e-19 2.337303319721664e-19 2.443864086771072e-19 2.5353003065201283e-19 2.6139511568352e-19 2.681579031999168e-19 2.73956180390592e-19 2.789020996190016e-19 2.830853827759104e-19 2.8952613279152642e-19 2.9658372080615043e-19 2.99919452530656e-19 3.024733220642112e-19 3.0455775384787203e-19 3.062063935906752e-19 3.0744647829517443e-19 3.08306847140544e-19 3.088067262462336e-19 3.089701482615552e-19 3.0889164160713603e-19 3.086336911711872e-19 3.0815624253818882e-19 3.07409628232896e-19 3.06328159013856e-19 3.048269195201664e-19 3.0279856391823364e-19 3.0009408978232325e-19 2.965100206815936e-19 2.917675778840256e-19 2.854646150577984e-19 2.8051228712290563e-19 2.7125330843130242e-19 2.563418506215168e-19 2.3475732718609924e-19 2.0203286970625922e-19 1.4882170021157377e-19 5.1860694821013123e-20 ] } }