{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" [ 4.63029 4.320043 4.127765 3.988065 3.878277 3.787824 3.710905 3.643992 3.584779 3.531676 3.483538 3.439515 3.39896 3.361366 3.326329 3.293524 3.262684 3.233585 3.206043 3.179899 3.155017 3.131282 3.108592 3.08686 3.072065 3.056494 3.040061 3.022665 3.004186 2.98448 2.963372 2.940648 2.916039 2.889205 2.859702 2.82694 2.79011 2.748055 2.699044 2.640311 2.56702 2.46949 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.63029e-10 4.3200430000000003e-10 4.127765e-10 3.988065e-10 3.8782770000000004e-10 3.787824e-10 3.710905e-10 3.643992e-10 3.5847790000000004e-10 3.531676e-10 3.483538e-10 3.439515e-10 3.3989600000000005e-10 3.361366e-10 3.326329e-10 3.2935240000000005e-10 3.262684e-10 3.2335850000000005e-10 3.2060430000000004e-10 3.1798989999999997e-10 3.155017e-10 3.1312820000000003e-10 3.108592e-10 3.08686e-10 3.072065e-10 3.056494e-10 3.040061e-10 3.022665e-10 3.004186e-10 2.98448e-10 2.963372e-10 2.940648e-10 2.916039e-10 2.8892050000000003e-10 2.859702e-10 2.82694e-10 2.79011e-10 2.748055e-10 2.6990440000000003e-10 2.640311e-10 2.56702e-10 2.46949e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.621525 1.04128 1.39473 1.69967 1.96943 2.21001 2.42824 2.6274 2.80713 2.96927 3.11531 3.24643 3.35891 3.45796 3.5448 3.62012 3.68455 3.73865 3.78291 3.81956 3.84831 3.86844 3.8803 3.88419 3.88229 3.87613 3.86502 3.84722 3.82103 3.78424 3.73329 3.66429 3.57207 3.44883 3.28327 3.05846 2.74805 2.3089 1.6658 0.674984 -0.968764 -4.04245 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.9579282424272e-20 1.6683144717066241e-19 2.234603798328384e-19 2.723171537075136e-19 3.155374702302144e-19 3.540826353734208e-19 3.8904693576913923e-19 4.2095588534899205e-19 4.497518057546304e-19 4.757294974842816e-19 4.991276848544449e-19 5.201354247063745e-19 5.381567073371328e-19 5.540262667661568e-19 5.67939568541184e-19 5.800071628490496e-19 5.903299868168641e-19 5.98997762335392e-19 6.060889960590528e-19 6.119609733742848e-19 6.165672311590848e-19 6.197924126967552e-19 6.21692594169024e-19 6.223158408745152e-19 6.220114273165632e-19 6.2102448651815045e-19 6.192444682924417e-19 6.163925939074177e-19 6.121964933375424e-19 6.063020855496193e-19 5.981389956666432e-19 5.870839769831232e-19 5.723087041861057e-19 5.525634795113664e-19 5.260378433774016e-19 4.900193107651968e-19 4.40286146278944e-19 3.69926559976512e-19 2.66890581492864e-19 1.0814435842140674e-19 -1.5521310318726912e-19 -6.47671888075296e-19 ] } }