{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.06789 5.661319 5.409342 5.226268 5.082394 4.963858 4.863057 4.775369 4.697772 4.628181 4.565097 4.507407 4.45426 4.404994 4.359079 4.316089 4.275673 4.23754 4.201447 4.167185 4.134578 4.103474 4.07374 4.04526 4.025872 4.005466 3.983931 3.961134 3.936917 3.911093 3.883431 3.853652 3.821403 3.786237 3.747574 3.704641 3.656375 3.601263 3.537036 3.460067 3.364021 3.23621 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.06789e-10 5.661319e-10 5.409342e-10 5.226268e-10 5.082394e-10 4.963858e-10 4.863057e-10 4.775369e-10 4.697771999999999e-10 4.6281809999999997e-10 4.5650969999999996e-10 4.507407e-10 4.45426e-10 4.4049940000000005e-10 4.3590790000000005e-10 4.316089e-10 4.275673e-10 4.2375400000000004e-10 4.201447e-10 4.167185e-10 4.1345780000000006e-10 4.1034740000000003e-10 4.07374e-10 4.04526e-10 4.025872e-10 4.0054660000000003e-10 3.983931e-10 3.961134e-10 3.9369170000000004e-10 3.9110930000000004e-10 3.883431e-10 3.853652e-10 3.8214030000000003e-10 3.786237e-10 3.7475740000000006e-10 3.7046410000000005e-10 3.656375e-10 3.601263e-10 3.5370360000000004e-10 3.460067e-10 3.3640210000000005e-10 3.2362099999999997e-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" [ 1.42625 1.83186 2.10086 2.31067 2.47992 2.61131 2.71548 2.80168 2.87528 2.94075 3.00158 3.06017 3.11745 3.17221 3.22261 3.26727 3.30542 3.33686 3.36181 3.3808 3.39451 3.40368 3.40894 3.41066 3.4098 3.40691 3.40137 3.39228 3.37838 3.35792 3.32866 3.28845 3.23644 3.17499 3.11152 3.04722 2.86704 1.60049 -7.43541 -72.2404 -610.263 -6988.28 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.285104405416e-19 2.934963264578688e-19 3.3659487755738883e-19 3.7021014523839363e-19 3.973269845454336e-19 4.1837798316612484e-19 4.350678570249985e-19 4.488786194962945e-19 4.606706394253824e-19 4.7116008976176e-19 4.809061301460864e-19 4.902932829673536e-19 4.99470550651296e-19 5.082440698267969e-19 5.163190399956288e-19 5.234743607841216e-19 5.295866645924736e-19 5.346239078882689e-19 5.386213385571649e-19 5.41663871960064e-19 5.438604561071808e-19 5.453296520684544e-19 5.461723969709952e-19 5.464479713497728e-19 5.463101841603841e-19 5.458471551169728e-19 5.449595492690496e-19 5.435031707207424e-19 5.412761452178304e-19 5.379980918516736e-19 5.333101230592129e-19 5.26867770866976e-19 5.185348502621952e-19 5.086894749273793e-19 4.985204599151616e-19 4.882184642434176e-19 4.593504458898432e-19 2.5642676598241923e-19 -1.1912840068062529e-18 -1.1574187995724031e-17 -9.777491111392705e-17 -1.1196458835604224e-15 ] } }