{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.5981 9.88799 9.447892 9.128138 8.87685 8.669817 8.49376 8.340606 8.205076 8.083529 7.973348 7.872588 7.779763 7.693715 7.613521 7.538435 7.467845 7.401243 7.338203 7.278362 7.221412 7.167086 7.115152 7.06541 7.031547 6.995907 6.958294 6.918476 6.876179 6.831074 6.782761 6.730749 6.674423 6.613002 6.545474 6.470487 6.386187 6.289929 6.17775 6.043317 5.875564 5.65233 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.05981e-09 9.88799e-10 9.447892e-10 9.128138e-10 8.876849999999999e-10 8.669817000000001e-10 8.49376e-10 8.340606e-10 8.205076000000001e-10 8.083529000000001e-10 7.973348e-10 7.872588000000001e-10 7.779763e-10 7.693715000000001e-10 7.613521000000001e-10 7.538435e-10 7.467845e-10 7.401243e-10 7.338203e-10 7.278362000000001e-10 7.221412e-10 7.167086000000001e-10 7.115152000000001e-10 7.06541e-10 7.031547e-10 6.995907e-10 6.958294000000001e-10 6.918476e-10 6.876179e-10 6.831074e-10 6.782761e-10 6.730749e-10 6.674423e-10 6.613002e-10 6.545474e-10 6.470487000000001e-10 6.386187e-10 6.289929e-10 6.17775e-10 6.043317e-10 5.875564e-10 5.65233e-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" [ 0.333082 0.416101 0.483032 0.541549 0.58036 0.604576 0.623089 0.639012 0.652457 0.664744 0.676419 0.687366 0.697303 0.706076 0.713741 0.720518 0.7267 0.732525 0.738045 0.743158 0.747595 0.75095 0.752971 0.753628 0.753319 0.752327 0.75055 0.747878 0.744187 0.739322 0.733023 0.724881 0.714338 0.700707 0.683207 0.660987 0.633103 0.598289 0.554003 0.492752 0.391162 0.224001 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.336561932093056e-20 6.666672940915008e-20 7.739025774982656e-20 8.676571468176191e-20 9.29839223647488e-20 9.686375326967809e-20 9.982986284776513e-20 1.0238100868106497e-19 1.0453513514773055e-19 1.0650372956170752e-19 1.0837427076649152e-19 1.101281735132813e-19 1.1172025642137024e-19 1.131258459707981e-19 1.1435391435064129e-19 1.1543970944655745e-19 1.16430175033536e-19 1.1736344291515201e-19 1.182478444098336e-19 1.1906703731604865e-19 1.197779230826976e-19 1.20315453338976e-19 1.2063925323403968e-19 1.2074451623802624e-19 1.2069500898044353e-19 1.2053607305966015e-19 1.2025136627414401e-19 1.1982326468106626e-19 1.1923190129032897e-19 1.1845244236430978e-19 1.1744323131086785e-19 1.1613873910621248e-19 1.1444956429490305e-19 1.1226563734309057e-19 1.0946182825669057e-19 1.0590179180527297e-19 1.0143428251583424e-19 9.585646482818112e-20 8.876106544530625e-20 7.894757342524417e-20 6.267106113453697e-20 3.588891652358208e-20 ] } }