{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.10603 7.562896 7.226283 6.981716 6.789516 6.631165 6.496507 6.379365 6.275704 6.182738 6.098465 6.021397 5.950399 5.884585 5.823248 5.765817 5.711826 5.660885 5.612668 5.566898 5.523339 5.481787 5.442066 5.40402 5.378119 5.35086 5.322092 5.291637 5.259286 5.224787 5.187835 5.148053 5.104972 5.057994 5.006345 4.948991 4.884514 4.81089 4.725089 4.622268 4.493962 4.32322 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.106030000000001e-10 7.562896000000001e-10 7.226283e-10 6.981716e-10 6.789516e-10 6.631165e-10 6.496507e-10 6.379365e-10 6.275704000000001e-10 6.182737999999999e-10 6.098465e-10 6.021397000000001e-10 5.950399e-10 5.884585000000001e-10 5.823248000000001e-10 5.765817e-10 5.711826000000001e-10 5.660885000000001e-10 5.612668000000001e-10 5.566898e-10 5.523339e-10 5.481787e-10 5.442066e-10 5.40402e-10 5.378119e-10 5.35086e-10 5.322092e-10 5.291637e-10 5.259286e-10 5.224787e-10 5.187835e-10 5.148053000000001e-10 5.104972e-10 5.057994e-10 5.006344999999999e-10 4.948991e-10 4.884514e-10 4.81089e-10 4.725089e-10 4.6222680000000003e-10 4.493962e-10 4.3232200000000003e-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" [ 1.22527 1.80209 2.19411 2.51879 2.79684 3.08498 3.30477 3.49957 3.67279 3.82699 3.96421 4.08609 4.19398 4.28902 4.37218 4.44431 4.50615 4.55834 4.60146 4.63603 4.66251 4.68541 4.69596 4.6994 4.69773 4.69223 4.68202 4.66598 4.64269 4.61027 4.56628 4.50741 4.42917 4.32525 4.35972 4.19449 3.96566 3.64194 3.16928 2.44635 1.25985 -0.916687 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9630989481676163e-19 2.887266466577472e-19 3.5153517454634877e-19 4.0355464507048324e-19 4.481031660118273e-19 4.942682831635584e-19 5.2948252311212165e-19 5.606929236853056e-19 5.884458271108032e-19 6.131513906035392e-19 6.3513645819415685e-19 6.546637868484673e-19 6.719496704102784e-19 6.871767570143616e-19 7.005004577929345e-19 7.120569577587648e-19 7.2196481798179205e-19 7.303265777657473e-19 7.372351633546369e-19 7.427738879327424e-19 7.470164516246209e-19 7.506854360862529e-19 7.523757324211969e-19 7.52926881178752e-19 7.526593176830784e-19 7.517781205416385e-19 7.501422982118015e-19 7.475724069120385e-19 7.438409375621952e-19 7.386466809575617e-19 7.315987060026624e-19 7.221666922360129e-19 7.096312623548736e-19 6.929814429115199e-19 6.985041457234177e-19 6.7203138141793925e-19 6.353687738041729e-19 5.835031122356352e-19 5.0777463207690245e-19 3.91948477629408e-19 2.01850221571488e-19 -1.4686944799912898e-19 ] } }