{ "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" [ 1.90202397538272e-19 2.3838305287896964e-19 2.729852613583872e-19 3.0025270526778244e-19 3.2271842584464005e-19 3.417090253309824e-19 3.5801758115410565e-19 3.721664028923904e-19 3.845191846387584e-19 3.9534669424212487e-19 4.048508059567104e-19 4.131917374445952e-19 4.2049445848220162e-19 4.2686311054988163e-19 4.323858133617792e-19 4.371346648658304e-19 4.411689455970048e-19 4.445463339136513e-19 4.473084864079104e-19 4.49498661848544e-19 4.511505059445888e-19 4.522976644050816e-19 4.52967374232576e-19 4.531852702530049e-19 4.53079526596032e-19 4.527334564459392e-19 4.520925857976193e-19 4.510864188797568e-19 4.496268359782081e-19 4.476016847295168e-19 4.448587583547073e-19 4.411945804229376e-19 4.363335765554304e-19 4.298912243631936e-19 4.21308364205568e-19 4.0976788600594566e-19 3.9399766152741125e-19 3.719469046953408e-19 3.400828160608704e-19 2.91788406180096e-19 2.131503732779904e-19 6.926001248757697e-20 ] } }