{ "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" [ 8.14572 7.599927 7.261666 7.015901 6.82276 6.663633 6.528316 6.410601 6.306432 6.213011 6.128325 6.05088 5.979535 5.913398 5.85176 5.794049 5.739793 5.688603 5.64015 5.594156 5.550384 5.508628 5.468712 5.43048 5.404452 5.377059 5.34815 5.317546 5.285036 5.250369 5.213235 5.173258 5.129965 5.082757 5.030855 4.973219 4.908426 4.834442 4.74822 4.644895 4.515959 4.34438 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.145720000000001e-10 7.599927e-10 7.261666e-10 7.015901000000001e-10 6.82276e-10 6.663633e-10 6.528316e-10 6.410601e-10 6.306432e-10 6.213011000000001e-10 6.128325e-10 6.05088e-10 5.979535000000001e-10 5.913398e-10 5.85176e-10 5.794049e-10 5.739793e-10 5.688603e-10 5.64015e-10 5.594156e-10 5.550384000000001e-10 5.508628e-10 5.468712000000001e-10 5.430480000000001e-10 5.404452000000001e-10 5.377059e-10 5.348150000000001e-10 5.317546000000001e-10 5.285036e-10 5.250369e-10 5.213235e-10 5.173258e-10 5.129965e-10 5.082757e-10 5.030855e-10 4.973219000000001e-10 4.908426e-10 4.834442e-10 4.74822e-10 4.644895e-10 4.5159589999999996e-10 4.3443800000000004e-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" [ 1.44804 2.00336 2.39724 2.72287 3.00131 3.23828 3.44256 3.6201 3.77521 3.9111 4.03026 4.13466 4.22591 4.30533 4.37403 4.43294 4.48286 4.5245 4.55846 4.58528 4.60545 4.61941 4.62753 4.63017 4.6289 4.62473 4.61702 4.60494 4.58747 4.56323 4.53045 4.48683 4.4292 4.35318 4.25248 4.11791 3.93542 3.64782 2.98715 1.62168 -0.909202 -4.87609 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3200158339832322e-19 3.2097365550458877e-19 3.840801882446592e-19 4.362518655477696e-19 4.808628713773248e-19 5.188296507604224e-19 5.5155891477012485e-19 5.80003958495808e-19 6.048553200610368e-19 6.26627298161088e-19 6.457188347745409e-19 6.624455586956929e-19 6.770654203604928e-19 6.897899070828864e-19 7.007968604677825e-19 7.102352829409153e-19 7.182333486319488e-19 7.2490481208096e-19 7.303458038851969e-19 7.346428415821825e-19 7.3787443182633605e-19 7.401110703889729e-19 7.414120378050624e-19 7.418350124329535e-19 7.41631536002112e-19 7.409634283512384e-19 7.397281501766017e-19 7.377927208186752e-19 7.349937182621376e-19 7.311100421333184e-19 7.25858107170336e-19 7.188694127504065e-19 7.09636068884736e-19 6.974563222134145e-19 6.813224036419585e-19 6.597619128558529e-19 6.305237917028737e-19 5.844451920886656e-19 4.785941892822721e-19 2.598217782418944e-19 -1.4567021879846017e-19 -7.812357398916671e-19 ] } }