{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pb" "Pb" ] } "a" { "source-value" [ 5.88352 5.489303 5.244983 5.067472 4.927969 4.813035 4.715298 4.630274 4.555035 4.487558 4.426391 4.370454 4.318922 4.271153 4.226633 4.184949 4.145762 4.108788 4.073791 4.04057 4.008954 3.978795 3.949964 3.92235 3.903551 3.883765 3.862884 3.84078 3.817299 3.792259 3.765438 3.736563 3.705294 3.671196 3.633708 3.592079 3.54528 3.491843 3.429566 3.354936 3.261808 3.13788 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.883520000000001e-10 5.489303e-10 5.244983000000001e-10 5.067472000000001e-10 4.927969e-10 4.813035000000001e-10 4.715298e-10 4.630274e-10 4.555035e-10 4.487558e-10 4.426391e-10 4.370454e-10 4.3189219999999997e-10 4.271153e-10 4.226633e-10 4.184949e-10 4.1457620000000006e-10 4.1087879999999996e-10 4.073791e-10 4.0405699999999997e-10 4.008954e-10 3.978795e-10 3.949964e-10 3.92235e-10 3.903551e-10 3.8837650000000003e-10 3.862884e-10 3.84078e-10 3.8172990000000006e-10 3.7922590000000003e-10 3.765438e-10 3.736563e-10 3.705294e-10 3.6711960000000005e-10 3.633708e-10 3.592079e-10 3.54528e-10 3.491843e-10 3.429566e-10 3.354936e-10 3.261808e-10 3.13788e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.460494 0.677636 0.853208 1.00225 1.13182 1.24609 1.34762 1.43829 1.51951 1.59225 1.65735 1.71548 1.76718 1.81293 1.85315 1.88814 1.91822 1.94365 1.96468 1.98153 1.99439 2.0034 2.00871 2.01045 2.0096 2.0068 2.00158 1.99334 1.98132 1.96454 1.94163 1.91078 1.86949 1.81423 1.7399 1.63878 1.49878 1.30007 1.00785 0.555669 -0.199865 -1.63108 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.377927208186753e-20 1.085692556612429e-19 1.3669899102795265e-19 1.6057815181968003e-19 1.8133755429538562e-19 1.996456265412672e-19 2.1591252577224963e-19 2.3043946119304324e-19 2.434523397071808e-19 2.5510657244688e-19 2.6553674224828804e-19 2.748501949449984e-19 2.831334480745344e-19 2.904634061146944e-19 2.96907360483552e-19 3.025133764797312e-19 3.0733272375509765e-19 3.11407058901792e-19 3.147764363353344e-19 3.174761039413824e-19 3.195365030757312e-19 3.20980064211072e-19 3.2183081999671685e-19 3.2210959872873603e-19 3.21973413715968e-19 3.21524804262144e-19 3.2068846806608644e-19 3.193682745305472e-19 3.174424582323456e-19 3.147540058626432e-19 3.1108341922439043e-19 3.061407043492224e-19 2.9952531708193924e-19 2.9067168907539844e-19 2.78762710252992e-19 2.625615002634624e-19 2.401310275722624e-19 2.0829417594034562e-19 1.61475370727328e-19 8.902798807033152e-20 -3.20219030316192e-20 -2.6132782426544643e-19 ] } }