{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 8.24367 7.691314 7.348985 7.100265 6.904802 6.743762 6.606817 6.487687 6.382265 6.28772 6.202016 6.12364 6.051437 5.984505 5.922126 5.863721 5.808813 5.757007 5.707971 5.661424 5.617125 5.574868 5.534472 5.49578 5.469439 5.441717 5.41246 5.381488 5.348588 5.313503 5.275923 5.235465 5.191652 5.143876 5.091349 5.033021 4.967449 4.892575 4.805316 4.700748 4.570262 4.39662 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.24367e-10 7.691314e-10 7.348985000000001e-10 7.100265000000001e-10 6.904802e-10 6.743762e-10 6.606817000000001e-10 6.487687e-10 6.382265000000001e-10 6.28772e-10 6.202016000000001e-10 6.12364e-10 6.051437e-10 5.984505000000001e-10 5.922126e-10 5.863721000000001e-10 5.808813e-10 5.757007e-10 5.707970999999999e-10 5.661424e-10 5.617125e-10 5.574868e-10 5.534472e-10 5.49578e-10 5.469439000000001e-10 5.441717e-10 5.41246e-10 5.381488e-10 5.348588000000001e-10 5.313503e-10 5.275922999999999e-10 5.235464999999999e-10 5.191652000000001e-10 5.143876e-10 5.091349e-10 5.033021e-10 4.967449e-10 4.892575000000001e-10 4.805316000000001e-10 4.700748e-10 4.570262e-10 4.396620000000001e-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" [ 1.75566 2.41158 2.77964 3.03558 3.24017 3.41597 3.56931 3.70048 3.80829 3.90172 3.99875 4.09746 4.19649 4.2946 4.39028 4.48173 4.56705 4.64436 4.71199 4.76857 4.81312 4.84503 4.86408 4.87036 4.8673 4.85724 4.83945 4.81868 4.79547 4.76886 4.73725 4.69799 4.64663 4.57575 4.47283 4.31664 4.07091 3.67288 3.01206 1.88913 -0.0707278 -3.67101 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.812877406073728e-19 3.863777095188864e-19 4.453474222240512e-19 4.863535306568064e-19 5.191324621417536e-19 5.472987271354177e-19 5.718665034387649e-19 5.928822541737985e-19 6.101553203226432e-19 6.251244564907777e-19 6.406703762424e-19 6.564854616663169e-19 6.723518167420992e-19 6.880707715687681e-19 7.034003974765824e-19 7.180523026737984e-19 7.3172207360246405e-19 7.441085010578688e-19 7.549440215443393e-19 7.640091368648257e-19 7.7114683371048955e-19 7.762593793074626e-19 7.793115257700865e-19 7.803176926879488e-19 7.79827426641984e-19 7.782156369614592e-19 7.753653647530561e-19 7.720376439116544e-19 7.683189919747777e-19 7.640555999868289e-19 7.589911196884801e-19 7.527009742752192e-19 7.444721951507905e-19 7.3311596726256e-19 7.166263654812865e-19 6.916019688410112e-19 6.522316827380928e-19 5.8846024670039045e-19 4.825852112446848e-19 3.026719919651904e-19 -1.1331842760061824e-20 -5.881606396723008e-19 ] } }