{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.87586 8.281145 7.912564 7.64477 7.434317 7.260927 7.11348 6.985214 6.871708 6.769913 6.677636 6.593249 6.515509 6.443444 6.376282 6.313397 6.254279 6.1985 6.145703 6.095587 6.047891 6.002393 5.958899 5.91724 5.875125 5.831724 5.786959 5.740738 5.692966 5.643534 5.592323 5.539199 5.484014 5.426603 5.366776 5.304324 5.239004 5.17054 5.098615 5.022858 4.942841 4.858053 4.767891 4.671627 4.568374 4.457037 4.336242 4.204233 4.058711 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.87586e-10 8.281145e-10 7.912564e-10 7.64477e-10 7.434317e-10 7.260927e-10 7.11348e-10 6.985214e-10 6.871708000000001e-10 6.769913000000001e-10 6.677636e-10 6.593249000000001e-10 6.515509e-10 6.443444e-10 6.376282e-10 6.313397e-10 6.254279e-10 6.1985e-10 6.145703000000001e-10 6.095587e-10 6.047891000000001e-10 6.002393e-10 5.958899e-10 5.91724e-10 5.875125e-10 5.831724000000001e-10 5.786959e-10 5.740738e-10 5.692966e-10 5.643534e-10 5.592323000000001e-10 5.539199000000001e-10 5.484014e-10 5.426603000000001e-10 5.366776e-10 5.304324e-10 5.239004e-10 5.17054e-10 5.098615e-10 5.022858e-10 4.942840999999999e-10 4.858053000000001e-10 4.767891e-10 4.671627e-10 4.5683740000000005e-10 4.4570369999999996e-10 4.3362420000000004e-10 4.2042330000000005e-10 4.058711e-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" [ 0.876178 2.01561 2.67206 3.11223 3.44671 3.72055 3.9535 4.15507 4.33058 4.48356 4.61665 4.732 4.83141 4.91648 4.9886 5.04906 5.09901 5.13951 5.17155 5.19604 5.21382 5.22567 5.23231 5.23439 5.23228 5.22575 5.21447 5.19803 5.17592 5.14747 5.11175 5.06764 5.01334 4.94336 4.84871 4.71722 4.53347 4.28095 3.9416 3.4932 2.90819 2.15037 1.16987 -0.10509 -1.78059 -4.01271 -7.0304 -11.1841 -17.0425 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.403791918824852e-19 3.22936324525674e-19 4.28111209664604e-19 4.986342185633819e-19 5.52223822617414e-19 5.960978275628699e-19 6.334205322518999e-19 6.65715606663438e-19 6.93835408766772e-19 7.183455069137039e-19 7.3966887573561e-19 7.581499832088e-19 7.740772211273939e-19 7.87706937752832e-19 7.992618356372399e-19 8.089485955664039e-19 8.169514678532339e-19 8.234402832209338e-19 8.285736571562699e-19 8.324973877329359e-19 8.35346057788188e-19 8.372446370994779e-19 8.383084823844539e-19 8.38641735124326e-19 8.383036758545519e-19 8.372574545125499e-19 8.35450199269398e-19 8.32816220883102e-19 8.292738083453278e-19 8.24715615821598e-19 8.189926408849499e-19 8.119254397523759e-19 8.03225620629756e-19 7.92013588545024e-19 7.768489867042139e-19 7.55781966143748e-19 7.26341970493998e-19 6.858838061322299e-19 6.3151394205744e-19 5.596723417888799e-19 4.659434065232459e-19 3.44527256845458e-19 1.8743383788175798e-19 -1.6837274246706e-20 -2.8528196927340596e-19 -6.42907020101814e-19 -1.12639426076736e-18 -1.79189036923194e-18 -2.7305095284945e-18 ] } }