{ "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 6.16723 5.754003 5.497902 5.311831 5.165602 5.045125 4.942674 4.853551 4.774684 4.703953 4.639837 4.581202 4.527186 4.477113 4.430446 4.386752 4.345675 4.306918 4.270233 4.235411 4.20227 4.170657 4.140436 4.11149 4.091784 4.071045 4.049157 4.025986 4.001373 3.975125 3.947011 3.916744 3.883966 3.848225 3.808929 3.765292 3.716237 3.660222 3.594942 3.516714 3.419095 3.28919 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.16723e-10 5.754003e-10 5.497902e-10 5.311831e-10 5.165602e-10 5.045125e-10 4.942674000000001e-10 4.853551000000001e-10 4.774684e-10 4.703953e-10 4.6398370000000003e-10 4.5812020000000003e-10 4.5271860000000003e-10 4.4771130000000005e-10 4.430446e-10 4.3867520000000005e-10 4.345675e-10 4.306918e-10 4.270233e-10 4.235411e-10 4.2022700000000003e-10 4.1706570000000006e-10 4.1404360000000006e-10 4.11149e-10 4.091784e-10 4.071045e-10 4.049157e-10 4.0259859999999995e-10 4.0013730000000004e-10 3.975125e-10 3.947011e-10 3.916744e-10 3.883966e-10 3.848225e-10 3.808929e-10 3.7652920000000005e-10 3.716237e-10 3.660222e-10 3.594942e-10 3.516714e-10 3.419095e-10 3.2891900000000003e-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" [ 1.51656 2.82016 3.90264 4.75142 5.404 5.91555 6.31995 6.64046 6.90064 7.11395 7.28724 7.42625 7.53564 7.62008 7.68608 7.73899 7.78248 7.81862 7.84883 7.87426 7.89525 7.91096 7.92071 7.92403 7.92235 7.91669 7.90596 7.88877 7.86334 7.82738 7.77772 7.70693 7.60019 7.43527 7.17876 6.79796 6.28962 5.6709 4.92801 3.88575 2.20386 -0.696191 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.4297969960590396e-19 4.51839445614144e-19 6.25271861891376e-19 7.612614102320281e-19 8.6581625301359995e-19 9.4777559872587e-19 1.01256762180483e-18 1.063918985101164e-18 1.105604416764576e-18 1.13978044654443e-18 1.1675445654350158e-18 1.18981642282425e-18 1.2073426330235758e-18 1.2208714125210719e-18 1.2314457783054718e-18 1.2399228948759659e-18 1.2468907610572318e-18 1.2526810274125079e-18 1.257521203023822e-18 1.261595538204084e-18 1.2649585069588499e-18 1.267475526450864e-18 1.2690376486690139e-18 1.2695695713115019e-18 1.2693004056369899e-18 1.268393573662146e-18 1.266674438133864e-18 1.263920296500018e-18 1.259845961319756e-18 1.254084534143892e-18 1.246128124979448e-18 1.2347863165873618e-18 1.217684683196046e-18 1.191261586148118e-18 1.150164153309384e-18 1.0891532670866639e-18 1.007708220073908e-18 9.0857834737506e-19 7.895542474118339e-19 6.2256578555655e-19 3.53097299660724e-19 -1.115420953001094e-19 ] } }