{ "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" [ 8.5165301156904e-20 1.10709604321083e-19 1.5994849772548798e-19 1.7887981683283198e-19 1.9469970891694798e-19 2.08223681884542e-19 2.19948410492154e-19 2.3020234094975395e-19 2.39219391045906e-19 2.4717419803371596e-19 2.5419493604390397e-19 2.60388950910948e-19 2.65837953643182e-19 2.70610837835868e-19 2.74766884024464e-19 2.7835415750799e-19 2.8141431487893e-19 2.8398100184659798e-19 2.8608946629694197e-19 2.8776534305610597e-19 2.8903426695023395e-19 2.8991706627556797e-19 2.9043456932835e-19 2.9060279787492e-19 2.90521086866586e-19 2.9025192119207396e-19 2.8975204208226597e-19 2.8896857770824e-19 2.87829430121466e-19 2.86243275253806e-19 2.84091552034344e-19 2.8120923626977797e-19 2.7737682976125e-19 2.72280305888496e-19 2.65471055193996e-19 2.5628097002137197e-19 2.4367504426506e-19 2.25969390282726e-19 2.00252853130392e-19 1.6103477348334e-19 9.669584595647519e-20 -2.2187102245295397e-20 ] } }