{ "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" [ 7.93878 7.406852 7.077185 6.837664 6.649429 6.494346 6.362466 6.247741 6.146219 6.055171 5.972636 5.897159 5.827626 5.763169 5.703098 5.646853 5.593975 5.544085 5.496863 5.452038 5.409377 5.368683 5.329781 5.29252 5.254851 5.216033 5.175993 5.134653 5.091924 5.047711 5.001906 4.954391 4.905033 4.853682 4.800172 4.744313 4.68589 4.624654 4.560322 4.492564 4.420994 4.345158 4.264515 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.93878e-10 7.406852e-10 7.077185e-10 6.837664e-10 6.649429e-10 6.494346e-10 6.362466000000001e-10 6.247741000000001e-10 6.146219000000001e-10 6.055171e-10 5.972636e-10 5.897159e-10 5.827626000000001e-10 5.763169000000001e-10 5.703098e-10 5.646853e-10 5.593975000000001e-10 5.544085e-10 5.496863000000001e-10 5.452038e-10 5.409377e-10 5.368683e-10 5.329781e-10 5.29252e-10 5.254851000000001e-10 5.216033000000001e-10 5.175993e-10 5.134653e-10 5.091924e-10 5.047710999999999e-10 5.001906e-10 4.954391e-10 4.905033e-10 4.853682e-10 4.800172e-10 4.744313e-10 4.68589e-10 4.624654e-10 4.5603220000000006e-10 4.492564e-10 4.4209940000000007e-10 4.3451579999999997e-10 4.264515e-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" [ 1.98123 2.96974 3.83853 4.63479 5.37907 6.07628 6.73401 7.35227 7.93302 8.47742 8.9867 9.46183 9.90153 10.3056 10.6753 11.0099 11.3077 11.5679 11.7898 11.9729 12.1162 12.2191 12.2824 12.3038 12.2797 12.199 12.0468 11.8052 11.4494 10.9482 10.2616 9.33737 8.10697 6.48003 4.33374 1.50231 -2.23971 -7.21383 -13.8718 -22.8609 -35.1431 -52.1638 -76.171 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.17428041257982e-19 4.758048037055159e-19 6.15000307490802e-19 7.425752241496859e-19 8.618220266650379e-19 9.735273837641518e-19 1.0789073475122338e-18 1.177963520085918e-18 1.2710099281054679e-18 1.358232424060428e-18 1.43982807567678e-18 1.515952294088022e-18 1.5864000006850018e-18 1.6511391519350399e-18 1.71037162209402e-18 1.7639804522676597e-18 1.81169327242818e-18 1.85338190844486e-18 1.88893420795332e-18 1.91827006212186e-18 1.94122925328708e-18 1.9577156508509398e-18 1.96785742894416e-18 1.97128608694092e-18 1.96742484125298e-18 1.9544952758165997e-18 1.9301101474471196e-18 1.8914015599696796e-18 1.83439611533196e-18 1.75409502243588e-18 1.6440895747454398e-18 1.496011603701258e-18 1.298879790653898e-18 1.038215265361902e-18 6.943416965831159e-19 2.40696597902454e-19 -3.58841102893614e-19 -1.1557829867648219e-18 -2.2225073831521198e-18 -3.66271998122106e-18 -5.6305453666325395e-18 -8.35756215006492e-18 -1.22039396388414e-17 ] } }