{ "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" [ 6.22641 5.809218 5.550658 5.362801 5.215168 5.093536 4.990102 4.900123 4.820499 4.749089 4.684357 4.62516 4.570625 4.520072 4.472957 4.428844 4.387372 4.348243 4.311207 4.27605 4.242592 4.210675 4.180164 4.15094 4.131045 4.110106 4.088009 4.064616 4.039766 4.013267 3.984883 3.954325 3.921233 3.885149 3.845476 3.80142 3.751894 3.695342 3.629436 3.550457 3.451901 3.32075 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.226409999999999e-10 5.809218000000001e-10 5.550658e-10 5.362801000000001e-10 5.215168000000001e-10 5.093536e-10 4.990102000000001e-10 4.900123e-10 4.820499e-10 4.749089e-10 4.684357000000001e-10 4.6251600000000004e-10 4.570625e-10 4.520072e-10 4.472957e-10 4.428844e-10 4.387372e-10 4.3482430000000003e-10 4.3112069999999997e-10 4.27605e-10 4.2425920000000005e-10 4.2106750000000006e-10 4.1801640000000006e-10 4.1509400000000005e-10 4.1310450000000004e-10 4.110106e-10 4.0880089999999995e-10 4.064616e-10 4.0397660000000004e-10 4.013267e-10 3.984883e-10 3.954325e-10 3.921233e-10 3.8851490000000005e-10 3.8454760000000004e-10 3.80142e-10 3.7518940000000004e-10 3.695342e-10 3.629436e-10 3.5504570000000006e-10 3.451901e-10 3.32075e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.36731 1.7082 1.95277 2.14401 2.30002 2.43049 2.54135 2.63653 2.7188 2.7902 2.85228 2.90626 2.95312 2.99365 3.0285 3.05824 3.08331 3.10414 3.12106 3.13438 3.14437 3.15126 3.15526 3.15655 3.15593 3.15389 3.15014 3.14429 3.13584 3.12419 3.10849 3.08767 3.06024 3.02417 2.97656 2.91315 2.82749 2.70927 2.54102 2.29071 1.89251 1.18623 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.19067213343454e-19 2.7368381261988e-19 3.12868246557618e-19 3.43508272506234e-19 3.68503830173268e-19 3.8940742871706593e-19 4.0716915888159e-19 4.22418676084002e-19 4.3559978325192e-19 4.470393244186799e-19 4.569856369625519e-19 4.656341864328839e-19 4.73141986139808e-19 4.7963560803741e-19 4.852191936069e-19 4.89984066916416e-19 4.94000723737854e-19 4.973380576664759e-19 5.000489405312039e-19 5.02183039807692e-19 5.03783614265058e-19 5.04887513965884e-19 5.05528384619484e-19 5.0573506540527e-19 5.0563573045396195e-19 5.05308886420626e-19 5.047080701828759e-19 5.03770796851986e-19 5.02416957596256e-19 5.00550421817646e-19 4.98035004502266e-19 4.94699272750278e-19 4.903045022432159e-19 4.845254511243779e-19 4.76897488169904e-19 4.6673808613371e-19 4.53013841086866e-19 4.34072908919718e-19 4.0711628705266797e-19 3.6701220372701396e-19 3.0321353016113395e-19 1.9005499885498197e-19 ] } }