{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.65274 7.139979 6.82219 6.591299 6.409847 6.260351 6.133223 6.022633 5.924768 5.837001 5.75744 5.684683 5.617655 5.555521 5.497614 5.443395 5.392423 5.344331 5.29881 5.2556 5.214477 5.175249 5.137748 5.10183 5.077378 5.051642 5.024482 4.995731 4.965189 4.932619 4.897732 4.860175 4.819502 4.775151 4.72639 4.672243 4.611371 4.541864 4.46086 4.363788 4.242655 4.08146 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.65274e-10 7.139979000000001e-10 6.82219e-10 6.591299e-10 6.409847e-10 6.260351e-10 6.133223e-10 6.022633e-10 5.924768e-10 5.837001e-10 5.757440000000001e-10 5.684683e-10 5.617655e-10 5.555521e-10 5.497614e-10 5.443394999999999e-10 5.392423e-10 5.344331e-10 5.298809999999999e-10 5.255600000000001e-10 5.214477e-10 5.175249e-10 5.137748000000001e-10 5.10183e-10 5.077378000000001e-10 5.051642e-10 5.024482e-10 4.995731e-10 4.965189e-10 4.932619e-10 4.897732e-10 4.860175e-10 4.819502e-10 4.775151e-10 4.72639e-10 4.672243e-10 4.6113710000000003e-10 4.5418640000000005e-10 4.46086e-10 4.363788e-10 4.2426550000000004e-10 4.08146e-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" [ 0.884914 1.3202 1.64319 1.88203 2.05804 2.19233 2.29863 2.38457 2.45406 2.50911 2.55099 2.58076 2.59954 2.60855 2.60995 2.61716 2.63295 2.65526 2.68175 2.70974 2.7363 2.7585 2.77354 2.779 2.77606 2.76591 2.74625 2.71433 2.66697 2.60064 2.51162 2.39631 2.25155 2.07506 1.86549 1.61976 1.31864 0.927594 0.383746 -0.44589 -1.91786 -5.22806 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4177885222186113e-19 2.1151935747801601e-19 2.632680601532352e-19 3.0153444656442244e-19 3.2973435726712324e-19 3.5124998710784644e-19 3.6828112458695044e-19 3.8205023046610565e-19 3.9318375580404483e-19 4.0200373810154886e-19 4.087136537894592e-19 4.1348333358958084e-19 4.1649222128344327e-19 4.1793578241878407e-19 4.1816008714569603e-19 4.1931525648929285e-19 4.2184509337353605e-19 4.2541954941454084e-19 4.2966371528304006e-19 4.341482076446592e-19 4.38403588749504e-19 4.419604208476801e-19 4.443700944853632e-19 4.4524488292032e-19 4.447738429938048e-19 4.431476337236928e-19 4.399977544872e-19 4.348836067136064e-19 4.2729569823749765e-19 4.166684607117312e-19 4.0240588443336967e-19 3.8393118581892487e-19 3.60738077056224e-19 3.3246126187572484e-19 2.988844464336192e-19 2.5951416033070083e-19 2.1126941792517122e-19 1.4861694203943552e-19 6.148288695255167e-20 -7.143945334485121e-20 -3.072750453967488e-19 -8.376275504139649e-19 ] } }