{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.69719 7.18145 6.861815 6.629583 6.447077 6.296712 6.168845 6.057612 5.959179 5.870902 5.790879 5.717699 5.650282 5.587787 5.529543 5.47501 5.423742 5.37537 5.329585 5.286123 5.244761 5.205305 5.167587 5.13146 5.094937 5.0573 5.018479 4.978397 4.936969 4.894101 4.84969 4.803621 4.755764 4.705977 4.654095 4.599936 4.54329 4.483918 4.421544 4.355848 4.286456 4.212928 4.134739 4.051258 3.961717 3.865165 3.760411 3.645932 3.519734 3.379144 3.220448 3.038287 2.824495 2.56573 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.69719e-10 7.18145e-10 6.861815000000001e-10 6.629583e-10 6.447077e-10 6.296712e-10 6.168845e-10 6.057612e-10 5.959179e-10 5.870902e-10 5.790879000000001e-10 5.717699e-10 5.650282e-10 5.587787e-10 5.529543000000001e-10 5.47501e-10 5.423742e-10 5.375370000000001e-10 5.329585e-10 5.286123e-10 5.244760999999999e-10 5.205305e-10 5.167587000000001e-10 5.13146e-10 5.094937e-10 5.0573e-10 5.018479e-10 4.978397e-10 4.936969e-10 4.894101e-10 4.84969e-10 4.803621e-10 4.755764e-10 4.705977e-10 4.654095e-10 4.599936e-10 4.54329e-10 4.4839180000000005e-10 4.421544e-10 4.355848e-10 4.2864560000000006e-10 4.212928e-10 4.1347389999999997e-10 4.051258e-10 3.961717e-10 3.8651650000000005e-10 3.760411e-10 3.645932e-10 3.519734e-10 3.3791440000000003e-10 3.2204480000000004e-10 3.038287e-10 2.8244950000000004e-10 2.56573e-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" [ 0.519026 0.681069 0.806055 0.912626 1.01468 1.13148 1.27516 1.44223 1.61993 1.79529 1.95943 2.10779 2.23878 2.35249 2.44993 2.53244 2.60145 2.65872 2.70456 2.7403 2.76694 2.78522 2.79579 2.79921 2.79557 2.78391 2.76288 2.7309 2.68609 2.6262 2.54852 2.44974 2.32584 2.17181 1.98149 1.74714 1.45903 1.10478 0.668509 0.129604 -0.538987 -1.37342 -2.42279 -3.75476 -5.46435 -7.68803 -10.6269 -14.5859 -20.0436 -27.7826 -39.1514 -56.6284 -85.172 -135.888 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.315713296384839e-20 1.091192837941746e-19 1.2914424867188698e-19 1.4621880527808839e-19 1.62569658698712e-19 1.81283081783832e-19 2.04303155661144e-19 2.31070720685382e-19 2.59541399471562e-19 2.87637168925386e-19 3.1393529619586197e-19 3.37705188737886e-19 3.58692100466652e-19 3.7691045097186595e-19 3.92522060093562e-19 4.0574161950069596e-19 4.1679824045192993e-19 4.2597390603484802e-19 4.3331828372510393e-19 4.3904446301502e-19 4.433126615679959e-19 4.462414404549479e-19 4.47934941157086e-19 4.484828855659139e-19 4.47899693271138e-19 4.46031555315894e-19 4.42662177854592e-19 4.3753841697906e-19 4.3035906348210596e-19 4.2076362762107996e-19 4.0831791952816795e-19 3.9249161873751593e-19 3.7264065024225595e-19 3.4796232354875397e-19 3.17469697850466e-19 2.7992268843267597e-19 2.33762377430502e-19 1.77005270171052e-19 1.071069499418706e-19 2.0764850047293597e-20 -8.635523774297579e-20 -2.20046143266828e-19 -3.88173752708886e-19 -6.015788738277839e-19 -8.7548538899979e-19 -1.2317582027491019e-18 -1.7026170871854597e-18 -2.33691881658606e-18 -3.21133875812424e-18 -4.45126325517684e-18 -6.27274582683876e-18 -9.07286993008056e-18 -1.36460588271048e-17 -2.17716578440992e-17 ] } }