{ "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" [ "Ru" "Ru" ] } "a" { "source-value" [ 4.4859 4.185328 3.999046 3.863702 3.757337 3.669705 3.595185 3.530359 3.472992 3.421545 3.374908 3.332258 3.292968 3.256546 3.222602 3.19082 3.160941 3.13275 3.106066 3.080737 3.056632 3.033637 3.011655 2.9906 2.976266 2.961181 2.94526 2.928407 2.910504 2.891412 2.870962 2.848947 2.825105 2.799108 2.770525 2.738785 2.703103 2.662359 2.614876 2.557975 2.486969 2.39248 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.4859e-10 4.185328e-10 3.999046e-10 3.863702e-10 3.7573370000000005e-10 3.6697050000000003e-10 3.595185e-10 3.530359e-10 3.4729920000000003e-10 3.4215450000000004e-10 3.3749080000000004e-10 3.332258e-10 3.292968e-10 3.2565460000000003e-10 3.2226020000000004e-10 3.19082e-10 3.160941e-10 3.1327500000000004e-10 3.1060660000000003e-10 3.080737e-10 3.056632e-10 3.033637e-10 3.011655e-10 2.9906000000000005e-10 2.976266e-10 2.9611809999999997e-10 2.9452600000000003e-10 2.928407e-10 2.910504e-10 2.891412e-10 2.870962e-10 2.848947e-10 2.8251050000000005e-10 2.799108e-10 2.770525e-10 2.7387850000000003e-10 2.703103e-10 2.662359e-10 2.614876e-10 2.557975e-10 2.486969e-10 2.39248e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.43098 3.26518 3.81716 4.25185 4.56171 4.75373 4.8816 4.99638 5.12308 5.26937 5.43498 5.61491 5.80118 5.98254 6.14924 6.29485 6.41481 6.5054 6.56548 6.59899 6.61424 6.62266 6.63628 6.64825 6.63678 6.59392 6.51336 6.39517 6.24135 6.05563 5.84405 5.61562 5.38318 5.16424 4.98159 4.8604 4.80952 4.74587 4.20665 1.19351 -13.1633 -86.1077 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.894859321632384e-19 5.231395058703744e-19 6.115764509852928e-19 6.812214665148481e-19 7.308665112869568e-19 7.616315067595584e-19 7.82118539209728e-19 8.005083224632705e-19 8.208079002488065e-19 8.442461420344897e-19 8.707797890515585e-19 8.996077529896129e-19 9.294514969052543e-19 9.585085721000833e-19 9.852168563688193e-19 1.0085461501442882e-18 1.0277658608874049e-18 1.042279978895232e-18 1.0519058560329985e-18 1.0572747498892992e-18 1.0597180692360193e-18 1.0610671019507329e-18 1.0632492665082625e-18 1.06516707192336e-18 1.0633293753393025e-18 1.0564624463425536e-18 1.0435553114853888e-18 1.0246191860041536e-18 9.99974505223008e-19 9.702188810215104e-19 9.36320028078624e-19 8.997215075296897e-19 8.624805141558145e-19 8.274024592200193e-19 7.981387032411072e-19 7.787219247736321e-19 7.705700501270017e-19 7.603721959356097e-19 6.73979628188832e-19 1.9122138186910083e-19 -2.108993151257664e-18 -1.3795974381086015e-17 ] } }