{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.84566 4.520983 4.319761 4.173563 4.058668 3.964008 3.883512 3.813487 3.751519 3.695945 3.645568 3.599499 3.557057 3.517714 3.481048 3.446717 3.414442 3.38399 3.355167 3.327806 3.301767 3.276928 3.253183 3.23044 3.207448 3.183754 3.159315 3.134081 3.108001 3.081014 3.053056 3.024053 2.993926 2.962583 2.929922 2.895827 2.860166 2.822789 2.783522 2.742164 2.698479 2.652191 2.602968 2.550414 2.494044 2.433261 2.367315 2.295246 2.2158 2.127293 2.027389 1.912712 1.778122 1.61522 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.84566e-10 4.5209830000000005e-10 4.319761e-10 4.173563e-10 4.0586680000000003e-10 3.9640080000000004e-10 3.8835120000000003e-10 3.813487e-10 3.7515190000000003e-10 3.695945e-10 3.645568e-10 3.599499e-10 3.557057e-10 3.517714e-10 3.481048e-10 3.4467170000000004e-10 3.414442e-10 3.38399e-10 3.355167e-10 3.327806e-10 3.301767e-10 3.276928e-10 3.253183e-10 3.2304400000000004e-10 3.207448e-10 3.183754e-10 3.159315e-10 3.134081e-10 3.108001e-10 3.0810140000000003e-10 3.0530560000000005e-10 3.024053e-10 2.9939260000000004e-10 2.962583e-10 2.929922e-10 2.8958270000000003e-10 2.860166e-10 2.8227890000000004e-10 2.783522e-10 2.742164e-10 2.698479e-10 2.652191e-10 2.6029680000000004e-10 2.550414e-10 2.4940440000000005e-10 2.4332609999999997e-10 2.3673150000000003e-10 2.2952460000000002e-10 2.2158000000000002e-10 2.127293e-10 2.027389e-10 1.912712e-10 1.778122e-10 1.6152200000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.72357 2.06153 2.23048 2.34662 2.44655 2.53966 2.62673 2.70575 2.77398 2.83113 2.87839 2.91799 2.95279 2.98548 3.01823 3.05242 3.08799 3.12352 3.15664 3.18477 3.20619 3.2204 3.22788 3.22998 3.22815 3.22249 3.21128 3.18994 3.14951 3.07715 2.95648 2.7669 2.48305 2.07442 1.50546 0.737019 -0.26854 -1.53303 -3.03339 -4.64886 -6.05511 -6.50958 -4.40552 3.63409 24.7323 74.2373 186.344 440.961 1036.67 2507.26 6446.94 18357.8 61427.9 267245 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.76146358106338e-19 3.3029351962900195e-19 3.57362293860432e-19 3.75969973287708e-19 3.9198052439126993e-19 4.06898391030444e-19 4.2084854298268193e-19 4.3350894274454997e-19 4.4444059391833195e-19 4.53597033381642e-19 4.61168920153926e-19 4.67513539624566e-19 4.730891143108859e-19 4.783266297274319e-19 4.83573758203782e-19 4.89051600115428e-19 4.94750542402566e-19 5.0044307598316795e-19 5.057494849949759e-19 5.102564078664179e-19 5.13688270216446e-19 5.1596496321336e-19 5.171633913355919e-19 5.17499848428732e-19 5.172066501047099e-19 5.16299818129866e-19 5.14503778123152e-19 5.11084733186196e-19 5.04607133054934e-19 4.930137829313099e-19 4.73680317488832e-19 4.4330625286146e-19 3.9782846910536998e-19 3.32358725310228e-19 2.41201283542164e-19 1.1808346206140458e-19 -4.3024851329436e-20 -2.4561848452210197e-19 -4.860026579809259e-19 -7.448294866737239e-19 -9.70135575829974e-19 -1.042949697315372e-18 -7.058421204619679e-19 5.82245408385306e-19 3.962551316507819e-18 1.189412674312482e-17 2.9855600268609594e-17 7.06497410705274e-17 1.66092845116878e-16 4.01707338736284e-16 1.0329136628799959e-15 2.9412438211645198e-15 9.84183460556886e-15 4.2817369455332996e-14 ] } }