{ "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" [ "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 7.73255 7.21444 6.893336 6.660037 6.476692 6.325637 6.197182 6.085438 5.986553 5.89787 5.817479 5.743963 5.676236 5.613454 5.554943 5.500158 5.448655 5.400061 5.354065 5.310404 5.268852 5.229214 5.191323 5.15503 5.11834 5.08053 5.041531 5.001264 4.959646 4.916581 4.871966 4.825686 4.777609 4.727593 4.675474 4.621066 4.56416 4.504515 4.441854 4.375857 4.306147 4.232281 4.153733 4.069869 3.979916 3.882921 3.777686 3.662681 3.535905 3.394668 3.235244 3.052247 2.837473 2.57752 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.73255e-10 7.21444e-10 6.893335999999999e-10 6.660037e-10 6.476692000000001e-10 6.325637000000001e-10 6.197182e-10 6.085438e-10 5.986553e-10 5.897870000000001e-10 5.817478999999999e-10 5.743963000000001e-10 5.676236000000001e-10 5.613454e-10 5.554943e-10 5.500158e-10 5.448655e-10 5.400061e-10 5.354065e-10 5.310404e-10 5.268852e-10 5.229214e-10 5.191323e-10 5.155030000000001e-10 5.11834e-10 5.08053e-10 5.041531e-10 5.001264e-10 4.959646e-10 4.916581000000001e-10 4.871966e-10 4.825686e-10 4.777609e-10 4.727593e-10 4.675474e-10 4.621066e-10 4.5641600000000003e-10 4.504515e-10 4.4418540000000003e-10 4.375857e-10 4.306147e-10 4.2322810000000006e-10 4.153733e-10 4.069869e-10 3.979916e-10 3.882921e-10 3.7776860000000005e-10 3.6626810000000003e-10 3.535905e-10 3.394668e-10 3.235244e-10 3.052247e-10 2.8374730000000005e-10 2.57752e-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 0 0 0 0 1.96926e-23 2.76733e-07 0.000243542 0.00424611 0.0206439 0.0564043 0.112898 0.187103 0.273823 0.367315 0.462206 0.553894 0.638693 0.713791 0.777146 0.827373 0.863613 0.88542 0.892673 0.884687 0.858562 0.810739 0.737197 0.633414 0.494281 0.314045 0.0862109 -0.196593 -0.542696 -0.96161 -1.46422 -2.06303 -2.77253 -3.60961 -4.59416 -5.74983 -7.10608 -8.71222 -10.6697 -13.1562 -16.4266 -20.8064 -26.6943 -34.5855 -45.288 -63.1708 -101.247 -181.79 -363.277 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 3.15510235827084e-42 4.4337514645672197e-26 3.9019730179762796e-23 6.803018227393739e-22 3.3075174214632596e-21 9.036965151712618e-21 1.80882537625332e-20 2.99772054751302e-20 4.387128124517819e-20 5.885035103177099e-20 7.405356532946039e-20 8.87436024512796e-20 1.0232990008993619e-19 1.1436192617594939e-19 1.245125162406564e-19 1.325597688202482e-19 1.3836605694186419e-19 1.4185992352762798e-19 1.430219822402682e-19 1.417424839803558e-19 1.375567975240308e-19 1.298947082072526e-19 1.181119808054898e-19 1.014841110448476e-19 7.91925468830154e-20 5.0315556102453e-20 1.3812508957611058e-20 -3.1497671100796196e-20 -8.694948505652638e-20 -1.5406690730207399e-19 -2.34593907103548e-19 -3.3053384612410197e-19 -4.44208278306402e-19 -5.78323279985274e-19 -7.360655804857439e-19 -9.21224327547222e-19 -1.138519533533472e-18 -1.395851531426748e-18 -1.70947440317898e-18 -2.1078556232230797e-18 -2.6318314696064398e-18 -3.3335527917657596e-18 -4.2768983720986194e-18 -5.5412079975207005e-18 -7.255937540059199e-18 -1.0121077971108719e-17 -1.6221557766259798e-17 -2.9125969029485995e-17 -5.82033921069618e-17 ] } }