{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.2821 7.727169 7.383244 7.133365 6.93699 6.7752 6.637616 6.517931 6.412018 6.317032 6.230929 6.152187 6.079647 6.012403 5.949734 5.891056 5.835892 5.783844 5.73458 5.687816 5.643311 5.600857 5.560272 5.5214 5.494937 5.467085 5.437692 5.406575 5.373522 5.338274 5.300518 5.259872 5.215855 5.167857 5.115085 5.056485 4.990608 4.915385 4.82772 4.722665 4.591571 4.41712 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.2821e-10 7.727169e-10 7.383244e-10 7.133365000000001e-10 6.93699e-10 6.775200000000001e-10 6.637616000000001e-10 6.517931e-10 6.412018e-10 6.317032000000001e-10 6.230929e-10 6.152187e-10 6.079647e-10 6.012403e-10 5.949734e-10 5.891056e-10 5.835892e-10 5.783844000000001e-10 5.734580000000001e-10 5.687816e-10 5.643311e-10 5.600857000000001e-10 5.560272e-10 5.5214e-10 5.494937000000001e-10 5.467085e-10 5.437692e-10 5.406575e-10 5.373522000000001e-10 5.338274e-10 5.300518e-10 5.259872e-10 5.215855000000001e-10 5.167857e-10 5.115085e-10 5.056485e-10 4.990608e-10 4.915385e-10 4.82772e-10 4.722665e-10 4.591571e-10 4.41712e-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" [ 0.732431 1.04226 1.29036 1.52717 1.80622 2.14011 2.50228 2.85992 3.1912 3.48629 3.74314 3.9637 4.15145 4.31023 4.44365 4.5549 4.64673 4.72148 4.78112 4.82724 4.86128 4.88442 4.89767 4.90192 4.89991 4.89336 4.88137 4.86281 4.83626 4.79988 4.7513 4.68738 4.60389 4.49499 4.35244 4.16423 3.91212 3.56712 3.0803 2.36201 1.22849 -0.767333 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.173483834217254e-19 1.6698846185528397e-19 2.0673846414482398e-19 2.4467960901457795e-19 2.8938834798634796e-19 3.4288342361897396e-19 4.0090945477255194e-19 4.582096999109279e-19 5.1128660744208e-19 5.585652377347859e-19 5.997171445790759e-19 6.3505475241858e-19 6.651356187219299e-19 6.905749793165819e-19 7.119512199674099e-19 7.2977543502066e-19 7.44488223050682e-19 7.564644933898319e-19 7.660198748350079e-19 7.734091134710159e-19 7.788629227331519e-19 7.82570359464228e-19 7.846932435042779e-19 7.853741685737279e-19 7.850521310702939e-19 7.84002705375024e-19 7.82081695590858e-19 7.791080557581539e-19 7.74854276794884e-19 7.69025558200392e-19 7.612421841124199e-19 7.51001071067892e-19 7.376244983506259e-19 7.201767948063659e-19 6.973377668886959e-19 6.67183200460182e-19 6.267907253404079e-19 5.715156314674079e-19 4.9351846857102e-19 3.7843572312743402e-19 1.96825797310266e-19 -1.229403003097122e-19 ] } }