{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.48705 7.918386 7.56595 7.309887 7.108652 6.942858 6.80187 6.679222 6.570688 6.473352 6.385118 6.304427 6.230092 6.161184 6.096964 6.036834 5.980305 5.926969 5.876486 5.828564 5.782958 5.739453 5.697864 5.65803 5.630912 5.602371 5.57225 5.540364 5.506492 5.470371 5.431682 5.39003 5.344923 5.295737 5.241659 5.181609 5.114101 5.037016 4.947182 4.839527 4.705188 4.52642 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.48705e-10 7.918386e-10 7.56595e-10 7.309887e-10 7.108652000000001e-10 6.942858000000001e-10 6.801870000000001e-10 6.679222000000001e-10 6.570688e-10 6.473352000000001e-10 6.385118000000001e-10 6.304427e-10 6.230092000000001e-10 6.161184e-10 6.096964e-10 6.036834e-10 5.980305000000001e-10 5.926969e-10 5.876486e-10 5.828564e-10 5.782958e-10 5.739453e-10 5.697864e-10 5.658030000000001e-10 5.630912e-10 5.602371e-10 5.57225e-10 5.540364000000001e-10 5.506492e-10 5.470371e-10 5.431682e-10 5.39003e-10 5.344923e-10 5.295737e-10 5.241659000000001e-10 5.181609e-10 5.114101e-10 5.037016e-10 4.947182e-10 4.839527000000001e-10 4.705188e-10 4.52642e-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" [ 1.09167 1.55051 1.9009 2.18587 2.42511 2.62974 2.80685 2.9613 3.09661 3.21545 3.31989 3.41159 3.49188 3.56188 3.62253 3.67462 3.71884 3.75579 3.78599 3.80988 3.82789 3.84036 3.84764 3.85 3.84886 3.84511 3.83819 3.82734 3.81165 3.7899 3.76051 3.72134 3.66953 3.60104 3.51014 3.38836 3.22275 2.99246 2.6619 2.16505 1.36481 -0.0774815 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7490481660387797e-19 2.48419089278334e-19 3.0455775635706e-19 3.5021498389615797e-19 3.88545457687974e-19 4.2133079814951595e-19 4.497069485142899e-19 4.7445256662642e-19 4.96131618661074e-19 5.1517188577953e-19 5.31905018545026e-19 5.465969782788059e-19 5.59460854473192e-19 5.706760909111919e-19 5.803932921964019e-19 5.88739030282908e-19 5.95823855358456e-19 6.01743898021086e-19 6.06582471455766e-19 6.104100714343919e-19 6.132955915522259e-19 6.152935058148239e-19 6.16459890404376e-19 6.1683800409e-19 6.16655355953724e-19 6.16054539715974e-19 6.14945833485246e-19 6.132074718373559e-19 6.1069365669861e-19 6.0720892251966e-19 6.02500125392334e-19 5.96224399516956e-19 5.87923522376202e-19 5.769502146099359e-19 5.62386429006876e-19 5.42875121958024e-19 5.1634147472235e-19 4.79444949017964e-19 4.2648339820446e-19 3.4687925214416995e-19 2.18666669184954e-19 -1.2413904886727098e-20 ] } }