{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.88584 7.35746 7.029992 6.792068 6.605089 6.45104 6.320039 6.20608 6.105235 6.014794 5.93281 5.857836 5.788767 5.72474 5.665069 5.609199 5.556675 5.507117 5.46021 5.415684 5.373308 5.332885 5.294242 5.25723 5.219812 5.181253 5.14148 5.100415 5.057971 5.014053 4.968553 4.921355 4.872326 4.821317 4.768164 4.712678 4.654643 4.593816 4.529913 4.462606 4.391514 4.316184 4.236078 4.150551 4.058814 3.959896 3.852574 3.735289 3.605999 3.461962 3.299377 3.11275 2.893718 2.62861 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.88584e-10 7.35746e-10 7.029992e-10 6.792068000000001e-10 6.605089000000001e-10 6.45104e-10 6.320039000000001e-10 6.206080000000001e-10 6.105235000000001e-10 6.014794e-10 5.932810000000001e-10 5.857836e-10 5.788767000000001e-10 5.72474e-10 5.665069e-10 5.609199e-10 5.556675e-10 5.507117e-10 5.460210000000001e-10 5.415684e-10 5.373308e-10 5.332885000000001e-10 5.294242e-10 5.25723e-10 5.219812000000001e-10 5.181253e-10 5.14148e-10 5.100415e-10 5.057971000000001e-10 5.014053e-10 4.968553e-10 4.921355e-10 4.872326e-10 4.821317e-10 4.768164e-10 4.712678000000001e-10 4.6546430000000004e-10 4.5938160000000007e-10 4.529913e-10 4.462606e-10 4.391514e-10 4.316184e-10 4.236078e-10 4.150551e-10 4.0588140000000003e-10 3.959896e-10 3.852574e-10 3.735289e-10 3.6059990000000005e-10 3.4619620000000003e-10 3.299377e-10 3.1127500000000004e-10 2.893718e-10 2.62861e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.24488 1.53872 1.75093 1.91768 2.05423 2.16879 2.26637 2.35034 2.42305 2.48626 2.5413 2.58923 2.63087 2.66693 2.69797 2.72448 2.74685 2.76545 2.78057 2.79248 2.80141 2.80758 2.81116 2.81232 2.81108 2.80711 2.79994 2.78906 2.77383 2.75351 2.72722 2.6939 2.65227 2.60078 2.53757 2.46031 2.36609 2.251 2.10976 1.93495 1.71601 1.43743 1.07596 0.595655 -0.0606151 -0.98661 -2.34172 -4.40747 -7.70323 -13.2347 -23.0556 -41.5964 -78.7978 -155.518 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.99451764813392e-19 2.46530123026848e-19 2.80529913376962e-19 3.0724620874891197e-19 3.2912393068618197e-19 3.47478466205286e-19 3.6311250579985803e-19 3.76565982995556e-19 3.8821540930136995e-19 3.98342767804884e-19 4.0716114799842e-19 4.14840380605182e-19 4.2151184410915794e-19 4.2728929305136195e-19 4.32262449323298e-19 4.365098195800319e-19 4.400938887102899e-19 4.4307393724953e-19 4.45496428320138e-19 4.47404620691232e-19 4.48835364425394e-19 4.49823907408572e-19 4.50397486643544e-19 4.50583339133088e-19 4.50384669230472e-19 4.49748605106774e-19 4.485998444601959e-19 4.46856676282404e-19 4.44416561268822e-19 4.411609383485339e-19 4.36948815977748e-19 4.3161036343326e-19 4.24940502105918e-19 4.1669089461745196e-19 4.06563536113938e-19 3.94185119439654e-19 3.7908941119410593e-19 3.6064996031339994e-19 3.3802081753478397e-19 3.1001316779582995e-19 2.74935112571034e-19 2.30301675901062e-19 1.72387797111864e-19 9.5434452292527e-20 -9.711609688757339e-21 -1.5807234888707398e-19 -3.75184906737048e-19 -7.061545449055979e-19 -1.234193511232782e-18 -2.12043270979998e-18 -3.693914360285039e-18 -6.66447801385176e-18 -1.2624799397060518e-17 -2.49167305766412e-17 ] } }