{ "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" [ 8.29036 7.734876 7.390609 7.140481 6.94391 6.781959 6.644238 6.524433 6.418415 6.323335 6.237145 6.158325 6.085713 6.018402 5.95567 5.896934 5.841715 5.789616 5.740302 5.693492 5.648942 5.606446 5.565821 5.52691 5.50042 5.472541 5.443118 5.411971 5.378885 5.343601 5.305808 5.265122 5.221061 5.173015 5.120191 5.061532 4.995589 4.920291 4.832539 4.727379 4.596155 4.42153 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.29036e-10 7.734876e-10 7.390609000000001e-10 7.140481e-10 6.94391e-10 6.781959e-10 6.644238e-10 6.524433e-10 6.418415000000001e-10 6.323335e-10 6.237145e-10 6.158325e-10 6.085713e-10 6.018402e-10 5.95567e-10 5.896934e-10 5.841715e-10 5.789616e-10 5.740302e-10 5.693492000000001e-10 5.648942e-10 5.606446000000001e-10 5.565821e-10 5.52691e-10 5.50042e-10 5.472541e-10 5.443118e-10 5.411971000000001e-10 5.378885e-10 5.343600999999999e-10 5.305808e-10 5.265122000000001e-10 5.221061e-10 5.173015e-10 5.120191000000001e-10 5.061531999999999e-10 4.995589e-10 4.920291e-10 4.832539e-10 4.727379e-10 4.596155000000001e-10 4.42153e-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" [ 0.67639 0.989474 1.22953 1.42982 1.59873 1.74391 1.87024 1.98104 2.07869 2.16788 2.24831 2.32001 2.38384 2.44052 2.49062 2.53464 2.571 2.6002 2.62439 2.64375 2.65848 2.66881 2.67489 2.67689 2.67591 2.67269 2.66667 2.65716 2.64325 2.62375 2.59706 2.56152 2.51373 2.44925 2.36173 2.24145 2.07148 1.82692 1.46261 0.88949 -0.0918221 -2.00884 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0836962445429122e-19 1.5853121096894591e-19 1.9699242205722242e-19 2.290824175952256e-19 2.561447828971584e-19 2.7940518307793283e-19 2.996454803284992e-19 3.173975972869632e-19 3.330428519890752e-19 3.473326652699904e-19 3.602189718310848e-19 3.717065782022208e-19 3.8193327157278726e-19 3.910144086594816e-19 3.990413135296896e-19 4.0609409501445124e-19 4.1191960920768005e-19 4.1659796494041605e-19 4.204736301861312e-19 4.23575444124e-19 4.2593545028643843e-19 4.2759049873572484e-19 4.285646221211712e-19 4.2888505744533124e-19 4.2872804413649285e-19 4.282121432645952e-19 4.272476329388736e-19 4.2572396297249287e-19 4.2349533529296005e-19 4.203710908824e-19 4.160948814814848e-19 4.104007457711616e-19 4.0274394370035837e-19 3.9241310884944006e-19 3.7839085906419844e-19 3.59119878669216e-19 3.3188768264547843e-19 2.9270485120719365e-19 2.343359547348288e-19 1.4251200824353922e-19 -1.471152218927597e-20 -3.2185164829278726e-19 ] } }