{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.81112 4.488757 4.288969 4.143812 4.029736 3.935751 3.855828 3.786302 3.724776 3.669598 3.61958 3.573839 3.5317 3.492637 3.456232 3.422146 3.390101 3.359866 3.331248 3.304082 3.278229 3.253567 3.229991 3.20741 3.192037 3.175858 3.158784 3.140708 3.121507 3.101031 3.079099 3.055488 3.029918 3.002036 2.97138 2.93734 2.899071 2.855374 2.804449 2.743422 2.667269 2.56593 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.81112e-10 4.488757e-10 4.288969e-10 4.143812e-10 4.029736e-10 3.9357510000000004e-10 3.855828e-10 3.7863020000000003e-10 3.724776e-10 3.6695980000000003e-10 3.61958e-10 3.573839e-10 3.5317e-10 3.4926370000000003e-10 3.4562320000000003e-10 3.422146e-10 3.3901010000000003e-10 3.359866e-10 3.331248e-10 3.3040820000000005e-10 3.278229e-10 3.253567e-10 3.229991e-10 3.20741e-10 3.1920370000000004e-10 3.175858e-10 3.158784e-10 3.1407080000000003e-10 3.1215069999999997e-10 3.101031e-10 3.079099e-10 3.055488e-10 3.029918e-10 3.002036e-10 2.97138e-10 2.93734e-10 2.8990710000000004e-10 2.855374e-10 2.8044490000000003e-10 2.743422e-10 2.667269e-10 2.56593e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.69466 1.96416 2.17385 2.34462 2.39874 2.51878 2.6273 2.72102 2.80228 2.87289 2.93423 2.98744 3.03342 3.07293 3.10661 3.135 3.15856 3.17769 3.19274 3.20402 3.21179 3.2163 3.21776 3.21706 3.21477 3.21054 3.20396 3.19447 3.18137 3.16374 3.14037 3.10961 3.06919 3.01587 2.94494 2.84921 2.71725 2.52972 2.2512 1.8091 1.02722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.71514465457444e-19 3.1469312574374396e-19 3.4828916758208995e-19 3.75649537960908e-19 3.84320517904116e-19 4.0355304621865198e-19 4.2093986705081996e-19 4.35955466464668e-19 4.48974753792552e-19 4.602877230052259e-19 4.701154744781819e-19 4.786406563476959e-19 4.86007464510828e-19 4.92337664391762e-19 4.97733795295074e-19 5.02282374759e-19 5.0605710290870395e-19 5.09122066809546e-19 5.11533342643716e-19 5.133405978868679e-19 5.14585489131486e-19 5.1530807079342e-19 5.15541988581984e-19 5.15429836217604e-19 5.15062937768418e-19 5.143852170522359e-19 5.13330984827064e-19 5.118105192013979e-19 5.09711667810858e-19 5.06887030405116e-19 5.03142743611458e-19 4.98214448285274e-19 4.91738450330646e-19 4.83195644518158e-19 4.718314056531959e-19 4.564937687359139e-19 4.353514458736499e-19 4.05305827456248e-19 3.6068200384607994e-19 2.8984977485693998e-19 1.6457878819774798e-19 ] } }