{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.97314 5.572917 5.324875 5.144659 5.003031 4.886345 4.787119 4.7008 4.624414 4.555909 4.493811 4.437021 4.384705 4.336207 4.291009 4.24869 4.208905 4.171368 4.135838 4.102111 4.070014 4.039395 4.010125 3.98209 3.963004 3.942918 3.921719 3.899277 3.875439 3.850017 3.822788 3.793473 3.761727 3.72711 3.689051 3.646788 3.599276 3.545025 3.481799 3.406033 3.311486 3.18567 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.97314e-10 5.572917000000001e-10 5.324875e-10 5.144659e-10 5.003031e-10 4.886345000000001e-10 4.787119e-10 4.7008e-10 4.624414e-10 4.555909e-10 4.493811e-10 4.437021e-10 4.3847050000000004e-10 4.336207e-10 4.291009e-10 4.24869e-10 4.208905e-10 4.1713680000000003e-10 4.135838e-10 4.102111e-10 4.0700139999999997e-10 4.039395e-10 4.0101250000000007e-10 3.98209e-10 3.9630040000000004e-10 3.9429180000000005e-10 3.921719e-10 3.899277e-10 3.8754390000000004e-10 3.850017e-10 3.8227880000000003e-10 3.793473e-10 3.7617270000000004e-10 3.72711e-10 3.689051e-10 3.646788e-10 3.5992760000000003e-10 3.545025e-10 3.481799e-10 3.406033e-10 3.311486e-10 3.18567e-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" [ -0.0251496 1.38642 2.1483 2.62204 3.06111 3.60747 4.19934 4.76091 5.23086 5.59552 5.86647 6.06422 6.20471 6.29869 6.35533 6.38612 6.40448 6.41979 6.43722 6.45738 6.47837 6.49748 6.51154 6.51684 6.51401 6.50449 6.48675 6.45774 6.41351 6.35316 6.27655 6.18406 6.07521 5.94351 5.77041 5.5254 5.19097 4.70527 4.52976 4.22612 3.74412 2.90836 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -4.029410114247169e-21 2.221289710609536e-19 3.44195603446464e-19 4.2009711868024326e-19 4.904438875697089e-19 5.779804094237377e-19 6.728084370790273e-19 7.627818695732928e-19 8.380761598677888e-19 8.965011325218816e-19 9.399121080624576e-19 9.715951507387776e-19 9.94104130084397e-19 1.0091613859666751e-18 1.0182361143468864e-18 1.0231692161623296e-18 1.0261108124381186e-18 1.0285637448445633e-18 1.0313563386946177e-18 1.0345863267621504e-18 1.0379492954892097e-18 1.0410110550115585e-18 1.0432637153404034e-18 1.0441128689494272e-18 1.0436594529657409e-18 1.0421341808227392e-18 1.03929191949744e-18 1.0346440051204994e-18 1.0275575779267008e-18 1.017888442020173e-18 1.0056141669282241e-18 9.907956353624449e-19 9.733559428450368e-19 9.522552767491008e-19 9.24521599443053e-19 8.85266670056832e-19 8.316850773274177e-19 7.538673588551616e-19 7.257475569835008e-19 6.7709906606952965e-19 5.998741529469696e-19 4.659706396869888e-19 ] } }