{ "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" [ "Ca" "Ca" ] } "a" { "source-value" [ 6.6195 6.175969 5.901086 5.701369 5.544416 5.415104 5.30514 5.209481 5.12483 5.048912 4.980093 4.917159 4.859181 4.805436 4.755347 4.708449 4.664359 4.62276 4.583385 4.546009 4.510438 4.476506 4.444069 4.413 4.391849 4.369589 4.346096 4.321226 4.294808 4.266636 4.23646 4.203973 4.168792 4.130429 4.088252 4.041415 3.988762 3.92864 3.858573 3.774608 3.669831 3.5304 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.619500000000001e-10 6.175969000000001e-10 5.901086e-10 5.701369e-10 5.544416e-10 5.415104e-10 5.30514e-10 5.209481000000001e-10 5.12483e-10 5.048912e-10 4.980093e-10 4.917159e-10 4.859181e-10 4.805436000000001e-10 4.755347000000001e-10 4.708449e-10 4.664359e-10 4.6227600000000005e-10 4.583385e-10 4.546009e-10 4.510438e-10 4.476506e-10 4.444069e-10 4.413e-10 4.391849e-10 4.3695890000000007e-10 4.3460960000000004e-10 4.3212260000000006e-10 4.294808e-10 4.266636e-10 4.2364600000000005e-10 4.2039730000000003e-10 4.168792e-10 4.1304290000000005e-10 4.088252e-10 4.0414149999999997e-10 3.988762e-10 3.92864e-10 3.858573e-10 3.7746080000000006e-10 3.669831e-10 3.5304000000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.53156 0.690995 0.99832 1.11648 1.21522 1.29963 1.37281 1.43681 1.49309 1.54274 1.58656 1.62522 1.65923 1.68902 1.71496 1.73735 1.75645 1.77247 1.78563 1.79609 1.80401 1.80952 1.81275 1.8138 1.81329 1.81161 1.80849 1.8036 1.79649 1.78659 1.77316 1.75517 1.73125 1.69944 1.65694 1.59958 1.5209 1.41039 1.24988 1.0051 0.603528 -0.138481 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.516530045524481e-20 1.107096034089696e-19 1.599484964077056e-19 1.788798153590784e-19 1.9469970731285761e-19 2.0822368016903043e-19 2.1994840868004484e-19 2.302023390531648e-19 2.392193890750272e-19 2.471741959972992e-19 2.541949339496448e-19 2.603889487656576e-19 2.6583795145299843e-19 2.706108356063616e-19 2.7476688176071684e-19 2.78354155214688e-19 2.8141431256041603e-19 2.839809995069376e-19 2.8608946393991042e-19 2.877653406852672e-19 2.890342645689408e-19 2.8991706388700163e-19 2.9043456693552003e-19 2.90602795480704e-19 2.9052108447304325e-19 2.9025191880074883e-19 2.897520396950592e-19 2.88968575327488e-19 2.878294277500992e-19 2.862432728955072e-19 2.840915496937728e-19 2.812092339529536e-19 2.77376827476e-19 2.722803036452352e-19 2.6547105300683523e-19 2.5628096790992644e-19 2.43675042257472e-19 2.259693884210112e-19 2.0025285148055042e-19 1.6103477215660803e-19 9.669584515981824e-20 -2.218710206250048e-20 ] } }