{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 10.2737 9.585325 9.158698 8.848731 8.605134 8.404438 8.233771 8.085305 7.953923 7.836096 7.729288 7.631611 7.541628 7.458213 7.380474 7.307686 7.239257 7.174694 7.113583 7.055574 7.000367 6.947703 6.89736 6.84914 6.800392 6.750157 6.698341 6.644841 6.589546 6.532328 6.473052 6.411561 6.347686 6.281233 6.211985 6.139697 6.064089 5.984843 5.90159 5.813903 5.721284 5.623143 5.518782 5.407357 5.287842 5.158971 5.019153 4.866353 4.697913 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.02737e-09 9.585325e-10 9.158698e-10 8.848731000000001e-10 8.605134e-10 8.404438000000001e-10 8.233771000000001e-10 8.085305000000001e-10 7.953923e-10 7.836096e-10 7.729288000000001e-10 7.631611e-10 7.541628000000001e-10 7.458213e-10 7.380474e-10 7.307686e-10 7.239257000000001e-10 7.174694e-10 7.113583000000001e-10 7.055574e-10 7.000367e-10 6.947703e-10 6.89736e-10 6.84914e-10 6.800392000000001e-10 6.750157e-10 6.698341e-10 6.644841e-10 6.589546000000001e-10 6.532328e-10 6.473052e-10 6.411561e-10 6.347686e-10 6.281233e-10 6.211985e-10 6.139697e-10 6.064089e-10 5.984843e-10 5.901589999999999e-10 5.813903e-10 5.721284e-10 5.623143e-10 5.518782e-10 5.407357e-10 5.287842000000001e-10 5.158971000000001e-10 5.019153e-10 4.866353e-10 4.697913e-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" [ 2.23896 3.35607 4.33787 5.23771 6.07881 6.86671 7.60999 8.30867 8.96497 9.58019 10.1557 10.6926 11.1895 11.6462 12.0639 12.4421 12.7786 13.0726 13.3234 13.5303 13.6923 13.8085 13.8801 13.9042 13.877 13.7858 13.6137 13.3408 12.9387 12.3722 11.5963 10.5518 9.16137 7.32281 4.89732 1.69755 -2.53137 -8.15254 -15.6766 -25.8352 -39.715 -58.9499 -86.08 -125.147 -182.82 -270.568 -409.057 -637.771 -1037.53 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.58720939646064e-19 5.377016936068379e-19 6.950033955329579e-19 8.391736577668139e-19 9.739327344525539e-19 1.100168231445414e-18 1.2192548162973658e-18 1.3311956933616777e-18 1.4363465458510978e-18 1.534915656728046e-18 1.6271225241913797e-18 1.71314338767084e-18 1.7927555446143e-18 1.86592695148908e-18 1.93284986949126e-18 1.99344418978914e-18 2.04735743352324e-18 2.0944614265628397e-18 2.1346440165435598e-18 2.1677930511010198e-18 2.1937483125718196e-18 2.2123656050589e-18 2.22383718975834e-18 2.2276984354462796e-18 2.2233405150018e-18 2.20872866409972e-18 2.18115520422858e-18 2.13743180388672e-18 2.07300828143358e-18 1.98224497511748e-18 1.85793209008542e-18 1.6905847406641199e-18 1.4678132949428578e-18 1.1732435077221538e-18 7.846371673220879e-19 2.7197749450466997e-19 -4.0557018660085794e-19 -1.306180909575036e-18 -2.5116682220564398e-18 -4.13925537747168e-18 -6.363044501931e-18 -9.44481523566366e-18 -1.3791536465471998e-17 -2.00507599215198e-17 -2.9290993222787996e-17 -4.3349772750811196e-17 -6.55381567374138e-17 -1.0218217940428139e-16 -1.6623063230740198e-16 ] } }