{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.08881 7.54683 7.210932 6.966885 6.775093 6.617078 6.482706 6.365813 6.262372 6.169603 6.085509 6.008606 5.937759 5.872084 5.810877 5.753569 5.699692 5.648859 5.600745 5.555072 5.511606 5.470142 5.430505 5.39254 5.366694 5.339493 5.310785 5.280395 5.248113 5.213687 5.176813 5.137115 5.094125 5.047247 4.995707 4.938475 4.874135 4.800667 4.715048 4.612445 4.48441 4.31403 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.088810000000001e-10 7.54683e-10 7.210932e-10 6.966885e-10 6.775093000000001e-10 6.617078e-10 6.482706000000001e-10 6.365813e-10 6.262372e-10 6.169603000000001e-10 6.085509e-10 6.008606e-10 5.937759e-10 5.872084e-10 5.810877e-10 5.753569e-10 5.699692e-10 5.648859e-10 5.600745e-10 5.555072e-10 5.511606e-10 5.470142000000001e-10 5.430505000000001e-10 5.39254e-10 5.366694e-10 5.339493e-10 5.310785e-10 5.280395e-10 5.248113000000001e-10 5.213687e-10 5.176813e-10 5.137114999999999e-10 5.094125e-10 5.047246999999999e-10 4.995707000000001e-10 4.938475e-10 4.874135000000001e-10 4.800667e-10 4.715048000000001e-10 4.6124450000000004e-10 4.4844099999999996e-10 4.31403e-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" [ 0.714849 0.978318 1.13827 1.23423 1.33143 1.44331 1.55894 1.66237 1.74635 1.81013 1.85735 1.89296 1.92045 1.94239 1.96057 1.97628 1.99035 2.0032 2.01496 2.0253 2.03375 2.04 2.04384 2.04513 2.04451 2.04247 2.03872 2.0329 2.02456 2.01316 1.99798 1.97797 1.95196 1.91869 1.87681 1.82478 1.76057 1.68133 1.5823 1.45466 1.29019 1.07104 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.145314364638266e-19 1.5674382402216119e-19 1.8237095971831797e-19 1.9774544669818198e-19 2.1331860358066197e-19 2.31243755761854e-19 2.4976972418079596e-19 2.66341037106258e-19 2.7979611647859e-19 2.90014799050242e-19 2.9758027711599e-19 3.0328562810966397e-19 3.0769001167652997e-19 3.11205187211526e-19 3.1411794433213795e-19 3.16634963824152e-19 3.1888922634819e-19 3.2094802332288e-19 3.22832183044464e-19 3.2448883368402e-19 3.2584267293974996e-19 3.26844033336e-19 3.2745926916345597e-19 3.2766594994924194e-19 3.2756661499793394e-19 3.2723977096459796e-19 3.2663895472684797e-19 3.2570648792586e-19 3.24370272613104e-19 3.22543791250344e-19 3.20111687119932e-19 3.16905731675298e-19 3.1273847025026397e-19 3.07408028588946e-19 3.00698112845754e-19 2.92361987819052e-19 2.8207441165213797e-19 2.69378764004322e-19 2.5351240879782e-19 2.33062226241444e-19 2.0671122714204597e-19 1.71599526207936e-19 ] } }