{ "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" [ 7.01385 6.543896 6.252638 6.041023 5.874719 5.737703 5.621189 5.519831 5.430136 5.349696 5.276777 5.210094 5.148662 5.091715 5.038642 4.98895 4.942233 4.898156 4.856435 4.816833 4.779143 4.743189 4.70882 4.6759 4.653489 4.629902 4.60501 4.578659 4.550667 4.520816 4.488842 4.45442 4.417143 4.376495 4.331805 4.282178 4.226389 4.162685 4.088444 3.999477 3.888457 3.74072 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.01385e-10 6.543896e-10 6.252638e-10 6.041023e-10 5.874719e-10 5.737703e-10 5.621189000000001e-10 5.519831e-10 5.430136e-10 5.349696e-10 5.276777000000001e-10 5.210094e-10 5.148662e-10 5.091715e-10 5.038642000000001e-10 4.988950000000001e-10 4.942233e-10 4.898156e-10 4.856435000000001e-10 4.816833000000001e-10 4.779143000000001e-10 4.743189e-10 4.70882e-10 4.6759e-10 4.6534890000000006e-10 4.6299020000000003e-10 4.60501e-10 4.5786590000000003e-10 4.550667e-10 4.520816e-10 4.488842e-10 4.45442e-10 4.4171430000000004e-10 4.3764950000000003e-10 4.3318050000000005e-10 4.282178e-10 4.226389e-10 4.162685e-10 4.088444e-10 3.9994770000000004e-10 3.888457e-10 3.74072e-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" [ 5.41173 8.08621 10.4529 12.6187 14.6309 16.5134 18.2878 19.9577 21.5263 23.0006 24.3793 25.6622 26.8506 27.9453 28.9429 29.8424 30.6425 31.3436 31.9417 32.4347 32.8207 33.099 33.2705 33.3282 33.2991 33.2014 33.0153 32.715 32.2657 31.6199 30.7123 29.4501 27.7005 25.2682 21.8443 16.9423 9.74953 -1.18346 -18.6283 -48.5176 -105.513 -235.302 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.6705472840819855e-19 1.2955536612879167e-18 1.6747391999560321e-18 2.021738612488896e-18 2.3441285921262723e-18 2.645738340991872e-18 2.9300285605866243e-18 3.1975760344940162e-18 3.448893459232704e-18 3.685102358437248e-18 3.905994449146944e-18 4.111537687829376e-18 4.301940357445248e-18 4.477330632124224e-18 4.6371637718152325e-18 4.781279558856193e-18 4.9094697102864e-18 5.021798313170688e-18 5.1176244968607365e-18 5.196611804266176e-18 5.258455821829057e-18 5.3030443971859194e-18 5.33052172623264e-18 5.339766285334657e-18 5.3351039513681286e-18 5.319450685782912e-18 5.289634178869825e-18 5.241520814947201e-18 5.1695350193746565e-18 5.066066453203393e-18 4.9206529030995845e-18 4.718426170022208e-18 4.438109348447041e-18 4.0484119289698566e-18 3.4998426757741445e-18 2.714455696257984e-18 1.5620469029788225e-18 -1.896111943651968e-19 -2.984582674524864e-18 -7.77337644173261e-18 -1.690504617904704e-17 -3.769953632274816e-17 ] } }