{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.19107 7.642237 7.302093 7.05496 6.860743 6.70073 6.564659 6.446289 6.34154 6.247598 6.162441 6.084565 6.012822 5.946317 5.884336 5.826304 5.771746 5.72027 5.671547 5.625297 5.581281 5.539293 5.499155 5.46071 5.434538 5.406992 5.377922 5.347148 5.314458 5.279597 5.242257 5.202057 5.158524 5.111054 5.058862 5.000907 4.935753 4.861357 4.774656 4.670756 4.541103 4.36857 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.191070000000001e-10 7.642237e-10 7.302093000000001e-10 7.054960000000001e-10 6.860743e-10 6.700730000000001e-10 6.564659e-10 6.446289e-10 6.341540000000001e-10 6.247598000000001e-10 6.162441000000001e-10 6.084565e-10 6.012822e-10 5.946317e-10 5.884336e-10 5.826304e-10 5.771746e-10 5.72027e-10 5.671547000000001e-10 5.625297e-10 5.581281e-10 5.539293e-10 5.499155e-10 5.46071e-10 5.434538e-10 5.406992e-10 5.377922e-10 5.347148e-10 5.314458000000001e-10 5.279597e-10 5.242257e-10 5.202057e-10 5.158524e-10 5.111054000000001e-10 5.058862e-10 5.000907e-10 4.935753e-10 4.861357e-10 4.774656e-10 4.670756e-10 4.541103e-10 4.36857e-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" [ 1.18715 1.48787 1.70384 1.87403 2.01425 2.13278 2.23457 2.32288 2.39998 2.46756 2.52688 2.57894 2.62452 2.66427 2.69874 2.72838 2.75356 2.77464 2.79188 2.80555 2.81586 2.82302 2.8272 2.82856 2.8279 2.82574 2.82174 2.81546 2.80635 2.79371 2.77659 2.75372 2.72338 2.68317 2.6296 2.55757 2.45914 2.32151 2.12263 1.8212 1.33038 0.432287 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9020239910530998e-19 2.38383054842958e-19 2.72985263607456e-19 3.00252707741502e-19 3.2271842850345e-19 3.4170902814625195e-19 3.58017584103738e-19 3.72166405958592e-19 3.8451918780673196e-19 3.95346697499304e-19 4.0485080929219193e-19 4.1319174084879594e-19 4.2049446194656797e-19 4.26863114066718e-19 4.32385816924116e-19 4.37134668467292e-19 4.411689492317039e-19 4.44546337576176e-19 4.473084900931919e-19 4.4949866555187005e-19 4.511505096615239e-19 4.522976681314679e-19 4.529673779644799e-19 4.531852739867039e-19 4.5307953032886e-19 4.52733460175916e-19 4.52092589522316e-19 4.510864225961639e-19 4.4962683968259e-19 4.47601688417214e-19 4.44858762019806e-19 4.41194584057848e-19 4.36333580150292e-19 4.2989122790497797e-19 4.2130836767663995e-19 4.09767889381938e-19 3.93997664773476e-19 3.7194690775973397e-19 3.40082818862742e-19 2.9178840858408e-19 2.1315037503409198e-19 6.926001305819579e-20 ] } }