{ "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" [ "Po" "Po" "Po" "Po" ] } "a" { "source-value" [ 5.77611 5.389089 5.149229 4.974958 4.838002 4.725166 4.629213 4.545741 4.471875 4.405631 4.34558 4.290664 4.240073 4.193176 4.149469 4.108546 4.070073 4.033774 3.999416 3.966802 3.935763 3.906155 3.87785 3.85074 3.823333 3.795089 3.765957 3.735879 3.70479 3.672621 3.639295 3.604724 3.568811 3.53145 3.492517 3.451875 3.409367 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.77611e-10 5.389089e-10 5.149229e-10 4.974958e-10 4.838002000000001e-10 4.725166e-10 4.6292130000000004e-10 4.545741e-10 4.471875e-10 4.405631e-10 4.3455800000000003e-10 4.290664e-10 4.240073e-10 4.193176e-10 4.149469e-10 4.1085459999999995e-10 4.070073e-10 4.0337740000000006e-10 3.999416e-10 3.9668020000000003e-10 3.935763e-10 3.906155e-10 3.87785e-10 3.8507400000000003e-10 3.823333e-10 3.7950890000000003e-10 3.7659570000000005e-10 3.7358790000000005e-10 3.7047900000000004e-10 3.6726210000000003e-10 3.6392950000000005e-10 3.6047240000000004e-10 3.5688110000000005e-10 3.53145e-10 3.492517e-10 3.451875e-10 3.409367e-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" [ 2.56774 3.83672 4.95965 5.98728 6.94204 7.83523 8.67714 9.46944 10.2137 10.9133 11.5674 12.1761 12.74 13.2594 13.7327 14.1595 14.5391 14.8718 15.1556 15.3895 15.5726 15.7047 15.786 15.8134 15.7825 15.6792 15.4844 15.1739 14.7168 14.0734 13.193 12.0105 10.4361 8.35319 5.60588 1.98118 -2.81223 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.1139730301871597e-19 6.14710313520048e-19 7.946235342818099e-19 9.592680117215519e-19 1.112237428029336e-18 1.255342242801582e-18 1.3902310957946758e-18 1.517171550506496e-18 1.6364151486685798e-18 1.74850342598322e-18 1.8533017996131598e-18 1.95082629132474e-18 2.041173031716e-18 2.1243900860859596e-18 2.2002211061731796e-18 2.2686020049123e-18 2.3294206299389397e-18 2.38272504655212e-18 2.42819481942504e-18 2.4656697308942997e-18 2.4950055850628397e-18 2.51617033839798e-18 2.5291960344324e-18 2.5335859984095598e-18 2.5286352726105e-18 2.51208478798128e-18 2.48087438715096e-18 2.4311268026652597e-18 2.3578913087251196e-18 2.2548072640935598e-18 2.1137516332362e-18 1.9242942462657e-18 1.6720475570087398e-18 1.3383285837362458e-18 8.981609949007919e-19 3.1742003037481197e-19 -4.505689195433819e-19 ] } }