{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.88171 5.487614 5.243369 5.065911 4.926452 4.811553 4.713845 4.628848 4.553631 4.486175 4.425027 4.369107 4.317591 4.269836 4.22533 4.183659 4.144483 4.107521 4.072534 4.039324 4.007718 3.977568 3.948746 3.92114 3.902346 3.882567 3.861693 3.839595 3.816121 3.791089 3.764276 3.73541 3.70415 3.670063 3.632586 3.59097 3.544186 3.490764 3.428507 3.3539 3.2608 3.13691 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.881710000000001e-10 5.487614e-10 5.243369e-10 5.065911e-10 4.926452000000001e-10 4.811553e-10 4.713845000000001e-10 4.628848e-10 4.553631e-10 4.4861750000000003e-10 4.425027e-10 4.3691069999999996e-10 4.3175910000000004e-10 4.2698359999999997e-10 4.2253299999999996e-10 4.1836589999999996e-10 4.1444830000000003e-10 4.1075210000000005e-10 4.072534e-10 4.0393239999999996e-10 4.0077179999999996e-10 3.9775680000000004e-10 3.948746e-10 3.92114e-10 3.902346e-10 3.882567e-10 3.861693e-10 3.8395950000000003e-10 3.816121e-10 3.791089e-10 3.764276e-10 3.73541e-10 3.70415e-10 3.670063e-10 3.632586e-10 3.59097e-10 3.544186e-10 3.490764e-10 3.4285070000000003e-10 3.3539e-10 3.2608e-10 3.13691e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.37853 1.75762 2.00861 2.01579 1.92645 1.91808 2.07346 2.36132 2.67151 2.95655 3.21446 3.45068 3.67434 3.89856 4.13056 4.36346 4.58055 4.76697 4.91614 5.02845 5.10768 5.15865 5.18616 5.19449 5.1908 5.17917 5.15853 5.12728 5.08299 5.02206 4.93954 4.82887 4.68198 4.49055 4.24882 3.95495 3.59921 3.12122 2.36664 1.08883 -1.14971 -5.50836 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.8108251578714243e-19 2.816017672250496e-19 3.218147982305088e-19 3.229651610442432e-19 3.08651315114016e-19 3.0731029328240644e-19 3.3220491361639677e-19 3.783251698227456e-19 4.2802308642334085e-19 4.73691528822624e-19 5.1501326604967685e-19 5.528598821862145e-19 5.886941644870272e-19 6.246181686786048e-19 6.617886662811648e-19 6.991033597795968e-19 7.3388501204054395e-19 7.637527886054976e-19 7.876524572579713e-19 8.056465028861761e-19 8.183405482527745e-19 8.26506842488992e-19 8.309144303728129e-19 8.322490434979392e-19 8.316578403248641e-19 8.297945089148737e-19 8.264876163695424e-19 8.214808144295425e-19 8.143847741760192e-19 8.046227120254848e-19 7.914015505506432e-19 7.736702618882496e-19 7.501358895053184e-19 7.194654224533441e-19 6.807360069987457e-19 6.33652842643296e-19 5.766570115349568e-19 5.000745712373376e-19 3.791775277850112e-19 1.744497970025664e-19 -1.8420384826999681e-19 -8.825365610949887e-19 ] } }