{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.43416 5.070051 4.84439 4.680436 4.551587 4.445431 4.355158 4.276628 4.207135 4.144812 4.088316 4.036651 3.989055 3.944934 3.903814 3.865314 3.829119 3.794969 3.762645 3.731961 3.70276 3.674904 3.648275 3.62277 3.605407 3.587132 3.567847 3.54743 3.525743 3.502616 3.477843 3.451174 3.422293 3.3908 3.356175 3.317726 3.274502 3.225146 3.167626 3.098697 3.012682 2.89822 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43416e-10 5.070051000000001e-10 4.84439e-10 4.680436000000001e-10 4.5515869999999996e-10 4.4454310000000005e-10 4.3551580000000007e-10 4.2766279999999996e-10 4.207135e-10 4.144812e-10 4.088316e-10 4.036651e-10 3.9890550000000003e-10 3.944934e-10 3.9038140000000003e-10 3.8653140000000004e-10 3.829119e-10 3.7949690000000003e-10 3.7626450000000004e-10 3.731961e-10 3.70276e-10 3.674904e-10 3.648275e-10 3.6227700000000004e-10 3.605407e-10 3.5871320000000003e-10 3.5678470000000003e-10 3.54743e-10 3.525743e-10 3.5026160000000003e-10 3.4778430000000004e-10 3.451174e-10 3.422293e-10 3.3908000000000003e-10 3.356175e-10 3.317726e-10 3.274502e-10 3.225146e-10 3.167626e-10 3.098697e-10 3.012682e-10 2.89822e-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" [ 0.922946 1.34796 1.6874 1.97459 2.22327 2.44131 2.63425 2.80606 2.95921 3.09584 3.21761 3.3265 3.42404 3.51023 3.58584 3.65156 3.70797 3.75561 3.79506 3.82661 3.85062 3.86741 3.87729 3.88052 3.87894 3.87374 3.8643 3.84959 3.82797 3.79758 3.756 3.69993 3.6248 3.52425 3.38954 3.2062 2.95248 2.59284 2.06552 1.25064 -0.106439 -2.66399 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.478722503460877e-19 2.1596699977735682e-19 2.7035128299379202e-19 3.1636419336654724e-19 3.562071215726016e-19 3.9114098061252486e-19 4.2205337633424005e-19 4.495803728562049e-19 4.741177078037568e-19 4.960082469737472e-19 5.155179516852289e-19 5.3296405290912e-19 5.485916836684032e-19 5.624008439630784e-19 5.745149013929473e-19 5.850444061448448e-19 5.940822844627776e-19 6.017150538842688e-19 6.080356406533249e-19 6.130905078919489e-19 6.169373339584896e-19 6.196273885048129e-19 6.212103390061632e-19 6.217278420546816e-19 6.214746981485953e-19 6.206415663057792e-19 6.19129111575744e-19 6.167723097665473e-19 6.133084039123776e-19 6.084393891617665e-19 6.0177753877248e-19 5.927941344596544e-19 5.80756981507584e-19 5.6464709558544e-19 5.430641743266433e-19 5.13689868160896e-19 4.730394429379584e-19 4.1541876294750717e-19 3.3093278537948157e-19 2.003746169037312e-19 -1.705340773413312e-20 -4.268182496044992e-19 ] } }