{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Nd" "Nd" ] } "a" { "source-value" [ 6.63714 6.192427 5.916812 5.716563 5.559191 5.429535 5.319278 5.223364 5.138487 5.062367 4.993365 4.930262 4.87213 4.818242 4.76802 4.720996 4.676789 4.635079 4.595599 4.558123 4.522458 4.488435 4.455912 4.42476 4.403553 4.381233 4.357678 4.332742 4.306253 4.278006 4.24775 4.215176 4.179902 4.141437 4.099147 4.052186 3.999393 3.93911 3.868857 3.784668 3.679612 3.53981 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.63714e-10 6.192427000000001e-10 5.916812e-10 5.716563e-10 5.559191e-10 5.429535e-10 5.319278e-10 5.223364000000001e-10 5.138486999999999e-10 5.062367e-10 4.993365e-10 4.930262e-10 4.87213e-10 4.818242e-10 4.76802e-10 4.720996e-10 4.676789e-10 4.6350790000000004e-10 4.5955990000000003e-10 4.558123e-10 4.5224580000000007e-10 4.488435e-10 4.455912e-10 4.42476e-10 4.4035529999999997e-10 4.381233e-10 4.357678e-10 4.332742e-10 4.306253e-10 4.2780060000000005e-10 4.24775e-10 4.2151759999999997e-10 4.1799020000000003e-10 4.141437e-10 4.0991470000000003e-10 4.052186e-10 3.999393e-10 3.93911e-10 3.868857e-10 3.784668e-10 3.679612e-10 3.53981e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.05653 1.58129 2.04356 2.4669 2.86046 3.22989 3.57742 3.90413 4.21106 4.49884 4.76819 5.01886 5.25084 5.46463 5.66026 5.83734 5.99495 6.13276 6.25043 6.34758 6.42389 6.4792 6.51273 6.52401 6.51833 6.49923 6.46301 6.40465 6.31737 6.19197 6.01548 5.76981 5.42884 4.95372 4.28503 3.32755 1.92245 -0.211612 -3.61897 -9.45746 -20.5911 -45.9504 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6927476651738241e-19 2.5335058687048323e-19 3.274144055202048e-19 3.95240950585152e-19 4.582962136733568e-19 5.174854245755712e-19 5.731658686782336e-19 6.255105810563904e-19 6.746861880786048e-19 7.207936268719873e-19 7.639482541532352e-19 8.041100155068289e-19 8.412773087561472e-19 8.755302427322304e-19 9.068736239649409e-19 9.352449675660673e-19 9.60496873286496e-19 9.82576469297741e-19 1.0014292815946944e-18 1.0169944274657665e-18 1.0292206372590913e-18 1.038082276148736e-18 1.0434543743582786e-18 1.0452616295865407e-18 1.0443515932659265e-18 1.0412914359201984e-18 1.0354883521996608e-18 1.026138049440672e-18 1.0121542518943298e-18 9.920629570694978e-19 9.637861418889984e-19 9.244254688458047e-19 8.697960526063872e-19 7.936734369989376e-19 6.865374885426625e-19 5.331322814543041e-19 3.0801044446569603e-19 -3.390397990807296e-20 -5.798229125376577e-19 -1.5152521304151168e-18 -3.2990579016554883e-18 -7.362065659640833e-18 ] } }