{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.44806 8.815006 8.422664 8.137607 7.913586 7.729019 7.572067 7.435532 7.314708 7.206351 7.108126 7.018299 6.935547 6.858836 6.787344 6.720406 6.657476 6.598101 6.541901 6.488554 6.437784 6.389352 6.343055 6.29871 6.253879 6.207681 6.160029 6.11083 6.059977 6.007359 5.952845 5.896297 5.837554 5.776441 5.712759 5.64628 5.576749 5.503871 5.427308 5.346668 5.261492 5.171239 5.075264 4.972793 4.862883 4.744369 4.615787 4.475267 4.320363 4.147792 3.952998 3.7294 3.466976 3.14935 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.44806e-10 8.815006000000001e-10 8.422663999999999e-10 8.137606999999999e-10 7.913586e-10 7.729019000000001e-10 7.572067e-10 7.435532000000001e-10 7.314708000000001e-10 7.206351e-10 7.108126000000001e-10 7.018299e-10 6.935547e-10 6.858836e-10 6.787344e-10 6.720406e-10 6.657476000000001e-10 6.598101000000001e-10 6.541901e-10 6.488554e-10 6.437784e-10 6.389352e-10 6.343055e-10 6.29871e-10 6.253879000000001e-10 6.207681e-10 6.160029e-10 6.11083e-10 6.059977e-10 6.007359000000001e-10 5.952845e-10 5.896297e-10 5.837554e-10 5.776441e-10 5.712759000000001e-10 5.64628e-10 5.576749e-10 5.503871e-10 5.427308e-10 5.346668e-10 5.261491999999999e-10 5.171239e-10 5.075264e-10 4.972793e-10 4.862883000000001e-10 4.744369e-10 4.615787e-10 4.475267e-10 4.3203630000000005e-10 4.147792e-10 3.952998e-10 3.7294e-10 3.466976e-10 3.14935e-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" [ 1.19894 1.44945 1.62012 1.74993 1.85409 1.94029 2.01304 2.07523 2.12884 2.1753 2.21567 2.25078 2.28128 2.30768 2.33041 2.34984 2.36626 2.37992 2.39105 2.39984 2.40644 2.41102 2.41368 2.41451 2.41361 2.41071 2.40543 2.39737 2.38605 2.37091 2.35124 2.32622 2.29484 2.25589 2.20785 2.14886 2.0766 1.98816 1.87983 1.7439 1.58065 1.37868 1.12714 0.81138 0.411146 -0.102167 -0.769991 -1.65408 -2.84968 -4.5099 -6.89362 -10.4672 -16.1429 -25.9152 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9209136535679596e-19 2.3222749221512997e-19 2.59571840827608e-19 2.80369695713562e-19 2.97057967533306e-19 3.10868730118386e-19 3.22524565130736e-19 3.3248850161758196e-19 3.4107777055245595e-19 3.4852148319402e-19 3.5498947026547795e-19 3.6061471242745195e-19 3.65501351161152e-19 3.6973109747491196e-19 3.73372844963994e-19 3.7648587416385596e-19 3.7911664819688396e-19 3.8130522147892795e-19 3.8308844407256996e-19 3.84496757333856e-19 3.8555419391229595e-19 3.86287990810668e-19 3.8671416979531197e-19 3.8684715045593397e-19 3.8670295455887397e-19 3.8623832333501396e-19 3.8539237407226197e-19 3.84101019705258e-19 3.8228735575556997e-19 3.7986166033169395e-19 3.76710178892616e-19 3.72701532954348e-19 3.6767390267685603e-19 3.6143342468742596e-19 3.5373656813769e-19 3.44285328173724e-19 3.3270799981643997e-19 3.18538349665344e-19 3.0118197018922195e-19 2.7940358320326e-19 2.5324804965321e-19 2.2088888817631198e-19 1.8058773712467598e-19 1.29997407729492e-19 6.58728514362564e-20 -1.63689580165878e-20 -1.2336615885902938e-19 -2.6501283267667196e-19 -4.56569071037712e-19 -7.2256564016766e-19 -1.104479688767508e-18 -1.67703032634048e-18 -2.58637771849986e-18 -4.15207279054368e-18 ] } }