{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.17547 5.761691 5.505247 5.318927 5.172502 5.051864 4.949276 4.860034 4.781061 4.710236 4.646033 4.58732 4.533232 4.483092 4.436363 4.392611 4.351478 4.312669 4.275936 4.241067 4.207882 4.176226 4.145965 4.11698 4.097248 4.07648 4.054563 4.031362 4.006716 3.980433 3.952281 3.921973 3.889152 3.853363 3.814014 3.770319 3.721198 3.665108 3.599741 3.521408 3.423658 3.29358 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.17547e-10 5.761691e-10 5.505247e-10 5.318927e-10 5.172502e-10 5.051864000000001e-10 4.949276e-10 4.860034e-10 4.781061e-10 4.710236e-10 4.6460330000000005e-10 4.5873200000000005e-10 4.5332320000000003e-10 4.4830920000000003e-10 4.4363630000000004e-10 4.392611e-10 4.351478e-10 4.312669e-10 4.275936e-10 4.2410670000000003e-10 4.207882e-10 4.176226e-10 4.1459650000000007e-10 4.11698e-10 4.097248e-10 4.07648e-10 4.054563e-10 4.031362e-10 4.006716e-10 3.980433e-10 3.9522810000000006e-10 3.921973e-10 3.889152e-10 3.853363e-10 3.814014e-10 3.7703190000000003e-10 3.721198e-10 3.665108e-10 3.599741e-10 3.5214080000000003e-10 3.4236580000000003e-10 3.29358e-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" [ 1.54147 2.10626 2.51992 2.84596 3.1125 3.33505 3.54225 3.7694 3.95541 4.10306 4.22544 4.33091 4.42285 4.50272 4.57169 4.63075 4.68074 4.7224 4.75635 4.78315 4.8033 4.81724 4.82534 4.82797 4.82671 4.82255 4.81489 4.80293 4.78564 4.7617 4.7294 4.68643 4.62967 4.55479 4.45564 4.32314 4.14346 3.8944 3.53819 3.00508 2.15083 0.621165 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.469707195664576e-19 3.3746005293262078e-19 4.037356910286336e-19 4.559730575731968e-19 4.98677473224e-19 5.34333913919904e-19 5.675310135028801e-19 6.03924455444352e-19 6.337265427678529e-19 6.573826805739649e-19 6.769901180593152e-19 6.938882748788929e-19 7.086186867305281e-19 7.214152714008577e-19 7.324654835545153e-19 7.419279386769601e-19 7.499372196043393e-19 7.566118874065921e-19 7.620512770342081e-19 7.66345110377952e-19 7.695734962688641e-19 7.718069304782592e-19 7.731046935411072e-19 7.735260659923776e-19 7.733241917381568e-19 7.72657686263904e-19 7.714304189723712e-19 7.695142157338944e-19 7.667440523565312e-19 7.629084415263361e-19 7.57733411041152e-19 7.508488581015744e-19 7.417549036019136e-19 7.297578050653632e-19 7.138722238701312e-19 6.926433836445313e-19 6.638554741219969e-19 6.239516632043521e-19 5.668805297948353e-19 4.814668919633664e-19 3.4460095413152645e-19 9.95216040659232e-20 ] } }