{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.86533 8.27132 7.903177 7.635701 7.425497 7.252313 7.105041 6.976927 6.863556 6.761881 6.669714 6.585427 6.507779 6.4358 6.368717 6.305907 6.246859 6.191146 6.138412 6.088355 6.040716 5.995272 5.95183 5.91022 5.881893 5.852081 5.820617 5.78731 5.751929 5.714199 5.673785 5.630276 5.583159 5.531781 5.475294 5.412568 5.342051 5.261531 5.167693 5.055241 4.914915 4.72818 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.865330000000001e-10 8.271319999999999e-10 7.903177000000001e-10 7.635701e-10 7.425497e-10 7.252313e-10 7.105041e-10 6.976927e-10 6.863556e-10 6.761881e-10 6.669714000000001e-10 6.585427e-10 6.507779000000001e-10 6.435800000000001e-10 6.368717e-10 6.305907000000001e-10 6.246859e-10 6.191146e-10 6.138412e-10 6.088355000000001e-10 6.040716e-10 5.995272e-10 5.95183e-10 5.91022e-10 5.881893e-10 5.852081e-10 5.820617000000001e-10 5.78731e-10 5.751929e-10 5.714199e-10 5.673785e-10 5.630276e-10 5.583159e-10 5.531781e-10 5.475294e-10 5.412568000000001e-10 5.342050999999999e-10 5.261530999999999e-10 5.167693e-10 5.055241e-10 4.914915e-10 4.72818e-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" [ 0.664978 1.01424 1.29812 1.5397 1.75063 1.93472 2.09745 2.24204 2.37082 2.4856 2.58782 2.67874 2.75955 2.83102 2.89346 2.94745 2.99361 3.03248 3.06447 3.08997 3.10932 3.12282 3.13073 3.13332 3.13206 3.12792 3.12023 3.10813 3.09054 3.06604 3.03272 2.98807 2.92861 2.84946 2.74362 2.60069 2.40456 2.12873 1.72752 1.11531 0.111545 -1.74179 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0654122049463424e-19 1.6249916158801921e-19 2.079817514992896e-19 2.4668713430457603e-19 2.8048184576711043e-19 3.0997631517941763e-19 3.36048535329696e-19 3.592144070898432e-19 3.7984723761250564e-19 3.9823702086604797e-19 4.146144702838656e-19 4.2918146012017923e-19 4.42128649392864e-19 4.535794057017217e-19 4.635833965219968e-19 4.72233548097696e-19 4.796291953793088e-19 4.858568559043584e-19 4.909822189142976e-19 4.950677692973376e-19 4.981679810585856e-19 5.003309194966656e-19 5.015982412037184e-19 5.020132049485057e-19 5.018113306942848e-19 5.011480295732736e-19 4.999159557518784e-19 4.979773220407104e-19 4.951590933647232e-19 4.912337606437633e-19 4.858953081432576e-19 4.787415895313856e-19 4.692150473441088e-19 4.565338193904769e-19 4.395763820359296e-19 4.1667647159483527e-19 3.8525298153108483e-19 3.410601437995584e-19 2.767792155964416e-19 1.7869236069444482e-19 1.7871479116713602e-20 -2.790655216343232e-19 ] } }