{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.23844 8.61943 8.235793 7.95706 7.73801 7.557537 7.404067 7.270561 7.152418 7.046464 6.950418 6.862584 6.781668 6.706659 6.636754 6.5713 6.509767 6.451709 6.396756 6.344592 6.294948 6.247592 6.202321 6.15896 6.129441 6.098374 6.065586 6.030877 5.994007 5.954688 5.912574 5.867234 5.818134 5.764594 5.705729 5.640362 5.566878 5.482969 5.385181 5.267996 5.121765 4.92717 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.238440000000001e-10 8.619429999999999e-10 8.235792999999999e-10 7.95706e-10 7.738010000000001e-10 7.557537e-10 7.404067000000001e-10 7.270561e-10 7.152418000000001e-10 7.046464e-10 6.950418000000001e-10 6.862584000000001e-10 6.781668e-10 6.706659000000001e-10 6.636754e-10 6.5713e-10 6.509767e-10 6.451709e-10 6.396756000000001e-10 6.344592e-10 6.294948e-10 6.247592000000001e-10 6.202321000000001e-10 6.158960000000001e-10 6.129441e-10 6.098374e-10 6.065586e-10 6.030877e-10 5.994007e-10 5.954688e-10 5.912574000000001e-10 5.867234e-10 5.818134e-10 5.764594e-10 5.705729e-10 5.640362e-10 5.566878e-10 5.482969e-10 5.385181e-10 5.267996000000001e-10 5.121765e-10 4.92717e-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" [ 1.56978 2.33684 2.93468 3.41088 3.79557 4.09219 4.30591 4.46707 4.58895 4.68835 4.78664 4.8963 5.0144 5.13049 5.23708 5.33035 5.40818 5.4674 5.5138 5.55054 5.57909 5.60064 5.61601 5.62245 5.61852 5.6044 5.57616 5.53088 5.46985 5.39609 5.31443 5.22968 5.14194 5.04978 4.95021 4.83634 4.69923 4.52833 4.30358 3.96667 3.40223 2.30471 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.515064815799424e-19 3.7440304145502723e-19 4.701875685529345e-19 5.464832192354304e-19 6.081173516609857e-19 6.556411145871553e-19 6.898828333268928e-19 7.157035117477056e-19 7.35230840402016e-19 7.51156476012768e-19 7.669042700186113e-19 7.84473738842304e-19 8.033954447339521e-19 8.219951131248192e-19 8.390727137259264e-19 8.5401621506812805e-19 8.664859557078144e-19 8.75974045656192e-19 8.83408145176704e-19 8.892945420815232e-19 8.938687563339073e-19 8.973214469517312e-19 8.997839924179009e-19 9.00815794161696e-19 9.001861387497216e-19 8.97923865361152e-19 8.933993185840127e-19 8.861446628450303e-19 8.76366578928288e-19 8.645489241732673e-19 8.514655498878144e-19 8.378871030265345e-19 8.238296053556352e-19 8.090639456183424e-19 7.931110730050369e-19 7.748670878239872e-19 7.528996441761984e-19 7.255184457267265e-19 6.895095261742465e-19 6.355305936428737e-19 5.450973364584384e-19 3.692552479723968e-19 ] } }