{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.66439 5.284855 5.049634 4.878734 4.744427 4.633773 4.539676 4.457819 4.385382 4.320418 4.261529 4.207675 4.158063 4.112072 4.069211 4.029079 3.991351 3.955754 3.922061 3.890077 3.859639 3.830603 3.802846 3.77626 3.758161 3.739112 3.719009 3.697728 3.675122 3.651014 3.625193 3.597393 3.567289 3.534461 3.498369 3.458291 3.413235 3.361788 3.301831 3.229981 3.140322 3.02101 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.664390000000001e-10 5.284855e-10 5.049634e-10 4.878733999999999e-10 4.744427e-10 4.6337729999999997e-10 4.5396760000000005e-10 4.4578189999999997e-10 4.385382e-10 4.3204180000000005e-10 4.2615290000000007e-10 4.207675e-10 4.1580630000000005e-10 4.1120720000000006e-10 4.069211e-10 4.0290790000000006e-10 3.991351e-10 3.955754e-10 3.922061e-10 3.8900769999999997e-10 3.8596390000000003e-10 3.830603e-10 3.802846e-10 3.7762600000000004e-10 3.758161e-10 3.739112e-10 3.719009e-10 3.697728e-10 3.6751220000000004e-10 3.651014e-10 3.625193e-10 3.5973929999999997e-10 3.5672890000000003e-10 3.534461e-10 3.498369e-10 3.458291e-10 3.413235e-10 3.3617880000000005e-10 3.301831e-10 3.2299810000000004e-10 3.140322e-10 3.0210100000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.440889 -0.177793 0.0576762 0.255789 0.489214 0.734695 0.953143 1.13058 1.26828 1.37378 1.45572 1.52141 1.5762 1.62364 1.66596 1.70451 1.74034 1.77702 1.8127 1.84412 1.86917 1.88685 1.89709 1.90034 1.89883 1.89399 1.88528 1.872 1.85319 1.82743 1.79264 1.74562 1.68165 1.59366 1.47145 1.30033 1.04738 0.669502 0.123417 -0.621829 -1.5388 -2.52227 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.063820481678912e-20 -2.8485578794189445e-20 9.240745921658496e-21 4.098191556578112e-20 7.838072333680512e-20 1.177111152418656e-19 1.5271034308791745e-19 1.811388843944064e-19 2.0320085646282241e-19 2.2010381981226244e-19 2.332320550430976e-19 2.4375675326513282e-19 2.52535078970496e-19 2.601358048595712e-19 2.6691621631879683e-19 2.7309260719198083e-19 2.788332060243072e-19 2.8470998986940164e-19 2.90426556052416e-19 2.954605949949696e-19 2.9947404743007362e-19 3.02306695695648e-19 3.039473245553472e-19 3.044680319571072e-19 3.0422610328736644e-19 3.034506498028992e-19 3.0205515396618244e-19 2.9992746341376005e-19 2.969137691900352e-19 2.9278656221485443e-19 2.8721258975109124e-19 2.796791552800896e-19 2.69430031436832e-19 2.553324793504128e-19 2.35752278867616e-19 2.083358325324864e-19 1.678087749093504e-19 1.0726604519788417e-19 1.977358320092736e-20 -9.962798859354432e-20 -2.46542938408704e-19 -4.041122025345216e-19 ] } }