{ "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" [ "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 7.29002 6.801561 6.498834 6.278886 6.106034 5.963623 5.842521 5.737172 5.643945 5.560337 5.484548 5.415238 5.351388 5.292198 5.237036 5.185387 5.136831 5.091018 5.047654 5.006492 4.967318 4.929949 4.894226 4.86001 4.836717 4.812201 4.786329 4.75894 4.729846 4.69882 4.665588 4.62981 4.591066 4.548817 4.502367 4.450787 4.392801 4.326588 4.249425 4.156954 4.041564 3.88801 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.290020000000001e-10 6.801561000000001e-10 6.498834000000001e-10 6.278886000000001e-10 6.106034000000001e-10 5.963623e-10 5.842521e-10 5.737172e-10 5.643945e-10 5.560337e-10 5.484548000000001e-10 5.415238000000001e-10 5.351388e-10 5.292198e-10 5.237036e-10 5.185387e-10 5.136831e-10 5.091018e-10 5.047654e-10 5.006492e-10 4.967318e-10 4.929949e-10 4.894226e-10 4.86001e-10 4.836717000000001e-10 4.812201e-10 4.786329e-10 4.75894e-10 4.729846000000001e-10 4.698820000000001e-10 4.665588e-10 4.62981e-10 4.591066e-10 4.5488169999999996e-10 4.5023669999999997e-10 4.4507870000000003e-10 4.3928010000000004e-10 4.326588e-10 4.2494249999999995e-10 4.156954e-10 4.041564e-10 3.88801e-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" [ 0.56887 0.899586 1.1766 1.4163 1.62716 1.81444 1.98171 2.13157 2.26603 2.38664 2.49468 2.59119 2.67706 2.75303 2.81976 2.87781 2.92769 2.96984 3.00465 3.03247 3.05364 3.06844 3.07715 3.08 3.07861 3.07403 3.06551 3.05209 3.03253 3.00523 2.96804 2.91809 2.8514 2.76239 2.643 2.48117 2.25817 1.94341 1.48375 0.778619 -0.385928 -2.55439 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.11430214274496e-20 1.441295657598989e-19 1.8851210120332803e-19 2.26916274803904e-19 2.606997710300928e-19 2.907053347844352e-19 3.175049431205568e-19 3.415151619598656e-19 3.6305802880314245e-19 3.823818810266112e-19 3.996917972377344e-19 4.1515440380507525e-19 4.289122944478848e-19 4.410840302361024e-19 4.517753548267009e-19 4.610759901104448e-19 4.6906764709499525e-19 4.758208215516672e-19 4.81397998368672e-19 4.858552537277376e-19 4.892470616339712e-19 4.916182830327552e-19 4.930137788694721e-19 4.934703992064e-19 4.932476966561088e-19 4.925138997637824e-19 4.911488452828609e-19 4.889987242577473e-19 4.858648667874624e-19 4.814909246126785e-19 4.755324297599232e-19 4.675295575390272e-19 4.56844641654912e-19 4.425836675531712e-19 4.2345528087744e-19 3.9752725662303363e-19 3.617987179791936e-19 3.113686066628928e-19 2.377229561112e-19 1.2474851583106753e-19 -6.183248189121024e-20 -4.0925839384053127e-19 ] } }