{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.64763 8.068207 7.709105 7.448197 7.243156 7.074224 6.930569 6.805601 6.695014 6.595836 6.505933 6.423716 6.347975 6.277763 6.212328 6.15106 6.093462 6.039117 5.987678 5.938851 5.892381 5.848053 5.805678 5.76509 5.737459 5.708378 5.677687 5.645197 5.610685 5.573881 5.534459 5.492019 5.446059 5.395942 5.340842 5.279655 5.21087 5.132327 5.040793 4.931101 4.794221 4.61207 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.647629999999999e-10 8.068206999999999e-10 7.709105e-10 7.448197e-10 7.243156e-10 7.074224000000001e-10 6.930569e-10 6.805601e-10 6.695013999999999e-10 6.595836e-10 6.505933e-10 6.423716e-10 6.347975e-10 6.277763e-10 6.212328000000001e-10 6.15106e-10 6.093462e-10 6.039117000000001e-10 5.987678e-10 5.938851e-10 5.892381e-10 5.848053e-10 5.805678e-10 5.76509e-10 5.737459e-10 5.708378e-10 5.677687e-10 5.645196999999999e-10 5.610685e-10 5.573881e-10 5.534459e-10 5.492019e-10 5.446059e-10 5.395942e-10 5.340842000000001e-10 5.279655e-10 5.21087e-10 5.132327e-10 5.040793e-10 4.931101e-10 4.794221e-10 4.6120700000000003e-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" [ 0.955749 1.43885 1.82662 2.15115 2.42817 2.66781 2.87716 3.06129 3.224 3.36817 3.49596 3.60911 3.70902 3.79684 3.87354 3.93992 3.99667 4.04438 4.0836 4.11481 4.13847 4.15497 4.16466 4.16783 4.16629 4.1612 4.15173 4.13683 4.11512 4.08483 4.04359 3.98822 3.91437 3.8159 3.68405 3.50587 3.26149 2.91869 2.42171 1.66578 0.429133 -1.85672 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5312787031529792e-19 2.30529183083808e-19 2.926567859085696e-19 3.44652223783392e-19 3.8903572053279363e-19 4.274302810736448e-19 4.609718486300928e-19 4.904727267488833e-19 5.165417425459201e-19 5.396403228879937e-19 5.601145379251968e-19 5.782431663895488e-19 5.9425051300796165e-19 6.083208280918272e-19 6.206095227733632e-19 6.312447711822336e-19 6.403371235052736e-19 6.479811081631105e-19 6.542648448698879e-19 6.592652381034049e-19 6.630559879882176e-19 6.656995794125376e-19 6.672520885580927e-19 6.677599785468865e-19 6.675132433472832e-19 6.666977354472961e-19 6.651804741873984e-19 6.627932310224064e-19 6.593149055786496e-19 6.544619125942465e-19 6.478545362100673e-19 6.389832842606976e-19 6.271512099160896e-19 6.113745767310721e-19 5.90249877985824e-19 5.617022949564096e-19 5.225483026972992e-19 4.676256881362752e-19 3.8800071443575684e-19 2.668873771396224e-19 6.875468598137664e-20 -2.974793375371776e-19 ] } }