{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.51169 5.142386 4.913507 4.747214 4.616527 4.508856 4.417296 4.337646 4.267161 4.203949 4.146647 4.094245 4.04597 4.00122 3.959514 3.920464 3.883753 3.849115 3.81633 3.785209 3.755591 3.727338 3.700329 3.67446 3.656849 3.638314 3.618753 3.598045 3.576048 3.552591 3.527465 3.500415 3.471122 3.43918 3.404061 3.365063 3.321222 3.271161 3.212821 3.142908 3.055666 2.93957 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51169e-10 5.142386e-10 4.913507e-10 4.747214e-10 4.616527e-10 4.5088559999999997e-10 4.4172960000000006e-10 4.3376460000000003e-10 4.267161e-10 4.203949e-10 4.146647e-10 4.094245e-10 4.0459699999999995e-10 4.0012200000000003e-10 3.959514e-10 3.920464e-10 3.883753e-10 3.849115e-10 3.81633e-10 3.7852090000000003e-10 3.755591e-10 3.7273380000000004e-10 3.700329e-10 3.6744599999999997e-10 3.656849e-10 3.638314e-10 3.618753e-10 3.5980450000000003e-10 3.576048e-10 3.552591e-10 3.527465e-10 3.500415e-10 3.471122e-10 3.43918e-10 3.404061e-10 3.365063e-10 3.321222e-10 3.2711610000000005e-10 3.212821e-10 3.142908e-10 3.055666e-10 2.93957e-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" [ 0.197952 0.755183 1.15638 1.50534 1.85931 2.18881 2.48118 2.73566 2.95263 3.13467 3.28641 3.41329 3.51969 3.60892 3.68357 3.74569 3.79689 3.83853 3.87168 3.89725 3.91601 3.9286 3.93568 3.93793 3.93686 3.9334 3.92708 3.91729 3.90329 3.88408 3.85839 3.82447 3.77995 3.7215 3.64427 3.54097 3.39933 3.1956 2.88581 2.38102 1.47648 -0.377031 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1715406905356797e-20 1.209936556994022e-19 1.8527250160249197e-19 2.4118205742255597e-19 2.9789430373625397e-19 3.50686023826554e-19 3.97528862074812e-19 4.38301053056844e-19 4.7306347948474195e-19 5.022295029300779e-19 5.265409311743939e-19 5.468693483065859e-19 5.63916507692346e-19 5.7821272979752795e-19 5.901729783703379e-19 6.00125699620746e-19 6.083288439868259e-19 6.15000307490802e-19 6.203115230325119e-19 6.2440828868565e-19 6.27413972051034e-19 6.294311124332399e-19 6.30565453490112e-19 6.30925943232762e-19 6.3075451033292395e-19 6.3020015721755995e-19 6.29187581584872e-19 6.27619050660186e-19 6.25376003372586e-19 6.22298222058672e-19 6.181822302859259e-19 6.127476471433979e-19 6.0561475676883e-19 5.962500343431e-19 5.83876424198718e-19 5.67325939569498e-19 5.44632709725522e-19 5.1199156516104e-19 4.62357735216354e-19 3.8148146090866795e-19 2.36558175656832e-19 -6.040702584936539e-20 ] } }