{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 6.02886 5.624904 5.374548 5.192652 5.049703 4.931929 4.831777 4.744653 4.667555 4.598411 4.535733 4.478414 4.42561 4.37666 4.331041 4.288327 4.248171 4.210283 4.174422 4.140381 4.107984 4.07708 4.047537 4.01924 3.999976 3.979702 3.958305 3.935655 3.911594 3.885935 3.858451 3.828863 3.796821 3.761882 3.723467 3.68081 3.632855 3.578097 3.514282 3.437809 3.34238 3.21539 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02886e-10 5.624904e-10 5.374548e-10 5.192652e-10 5.049703000000001e-10 4.931929e-10 4.831777e-10 4.744653e-10 4.667555000000001e-10 4.598411e-10 4.535733e-10 4.478414e-10 4.42561e-10 4.37666e-10 4.331041e-10 4.288327e-10 4.2481710000000004e-10 4.2102830000000007e-10 4.174422e-10 4.1403809999999996e-10 4.107984e-10 4.0770799999999996e-10 4.047537e-10 4.0192400000000003e-10 3.999976e-10 3.9797020000000003e-10 3.958305e-10 3.9356550000000003e-10 3.9115940000000004e-10 3.8859350000000003e-10 3.858451e-10 3.828863e-10 3.796821e-10 3.761882e-10 3.723467e-10 3.6808100000000004e-10 3.632855e-10 3.5780970000000004e-10 3.5142820000000004e-10 3.437809e-10 3.34238e-10 3.2153900000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.162619 0.141154 0.0905796 -0.000851002 -0.0683553 -0.104487 0.289126 0.53113 0.652815 0.71931 0.760662 0.789526 0.811631 0.832116 0.852441 0.871426 0.888494 0.903534 0.915999 0.926036 0.934051 0.940194 0.943781 0.94479 0.944395 0.943259 0.941392 0.938674 0.934829 0.929491 0.922191 0.912294 0.898243 0.877217 0.845662 0.802738 0.740184 0.651728 0.525308 0.281864 -0.117483 -0.84119 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6054435989787524e-20 2.261536387324032e-20 1.451245174414157e-20 -1.3634555086540418e-22 -1.0951726356777024e-20 -1.674066285775296e-20 4.6323091766542084e-20 8.509640686055041e-20 1.0459249307075521e-19 1.152461665107648e-19 1.2187148727309697e-19 1.2649600987137407e-19 1.300376212916525e-19 1.3331968009936128e-19 1.3657610408113728e-19 1.396178363957261e-19 1.4235243145210754e-19 1.447621050897907e-19 1.4675921824761793e-19 1.483673229219149e-19 1.496514674834861e-19 1.5063568458164353e-19 1.5121038533552448e-19 1.5137204495656321e-19 1.513087589800416e-19 1.5112675171591872e-19 1.5082762534081537e-19 1.5039215373528194e-19 1.4977611682458434e-19 1.489208749444013e-19 1.477512860112173e-19 1.4616561180961154e-19 1.4391439343972544e-19 1.4054565687683138e-19 1.3548998854989696e-19 1.2861280562277504e-19 1.1859054998902272e-19 1.0441833647207424e-19 8.416361963192064e-20 4.515959110451712e-20 -1.8822851594144643e-20 -1.347734951650752e-19 ] } }