{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.4474 8.81439 8.422076 8.137038 7.913034 7.728479 7.571538 7.435013 7.314198 7.205847 7.107629 7.017809 6.935062 6.858357 6.78687 6.719937 6.657011 6.59764 6.541444 6.488101 6.437334 6.388906 6.342612 6.29827 6.253443 6.207248 6.159599 6.110403 6.059554 6.006939 5.95243 5.895885 5.837147 5.776038 5.712359 5.645885 5.576359 5.503486 5.426929 5.346295 5.261125 5.170877 5.074909 4.972446 4.862544 4.744037 4.615464 4.474954 4.320061 4.147502 3.952722 3.72914 3.466734 3.14913 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.4474e-10 8.81439e-10 8.422076000000001e-10 8.137038000000001e-10 7.913034e-10 7.728479e-10 7.571538000000001e-10 7.435013e-10 7.314198000000001e-10 7.205847000000001e-10 7.107629e-10 7.017809e-10 6.935062e-10 6.858357000000001e-10 6.78687e-10 6.719937e-10 6.657011e-10 6.59764e-10 6.541444e-10 6.488101000000001e-10 6.437334000000001e-10 6.388906e-10 6.342612e-10 6.29827e-10 6.253443e-10 6.207248e-10 6.159599e-10 6.110403e-10 6.059554e-10 6.006939e-10 5.95243e-10 5.895885e-10 5.837147e-10 5.776038e-10 5.712359e-10 5.645885e-10 5.576359e-10 5.503486e-10 5.426929e-10 5.346295e-10 5.261125e-10 5.170877e-10 5.074909e-10 4.972445999999999e-10 4.862544e-10 4.744037e-10 4.6154640000000007e-10 4.4749540000000004e-10 4.320061e-10 4.1475020000000005e-10 3.952722e-10 3.7291400000000004e-10 3.4667340000000005e-10 3.1491300000000003e-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" [ 1.19919 1.44971 1.62035 1.75016 1.85431 1.9405 2.01323 2.07541 2.129 2.17355 2.21162 2.24656 2.2769 2.30316 2.32578 2.34509 2.36141 2.37498 2.38603 2.39474 2.40128 2.40581 2.40844 2.40929 2.40838 2.40544 2.40014 2.39207 2.38075 2.36561 2.34596 2.32098 2.28966 2.25079 2.20286 2.14402 2.07196 1.98376 1.87574 1.74317 1.57989 1.37781 1.12614 0.810221 0.409804 -0.103736 -0.771829 -1.65624 -2.85226 -4.51302 -6.89744 -10.472 -16.149 -25.9233 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9213141977264598e-19 2.32269148807614e-19 2.5960869089018997e-19 2.80406545776144e-19 2.97093215419254e-19 3.1090237582769994e-19 3.2255500648678198e-19 3.3251734079699402e-19 3.411034053786e-19 3.4824110228307e-19 3.5434058872870797e-19 3.59938593887904e-19 3.6479959779546e-19 3.6900691363634397e-19 3.72631037182452e-19 3.7572484026270595e-19 3.7833959252939396e-19 3.8051374622173196e-19 3.8228415140230193e-19 3.83679647250516e-19 3.8472747076915197e-19 3.8545325678435395e-19 3.85874629239096e-19 3.86010814252986e-19 3.85865016179292e-19 3.8539397624889597e-19 3.8454482263287594e-19 3.8325186608923797e-19 3.8143820213954995e-19 3.7901250671567403e-19 3.7586422962986397e-19 3.71861992398132e-19 3.6684397518044397e-19 3.6061631460408594e-19 3.5293708199732395e-19 3.4350987468286794e-19 3.3196458985826397e-19 3.1783339194638396e-19 3.0052667994591596e-19 2.79286624308978e-19 2.53126284229026e-19 2.20749498809154e-19 1.8042751946127598e-19 1.2981171545761138e-19 6.56578393319736e-20 -1.66203395304624e-20 -1.236606389243586e-19 -2.6535890282961595e-19 -4.569824326092839e-19 -7.230655192774679e-19 -1.1050917202416959e-18 -1.6777993711247997e-18 -2.5873550462466e-18 -4.15337055361722e-18 ] } }