{ "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" [ "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" [ 13.666 12.750324 12.182825 11.770506 11.446474 11.179508 10.952486 10.754996 10.580232 10.423499 10.281422 10.151493 10.031797 9.92084 9.817431 9.720609 9.629584 9.543702 9.462412 9.385248 9.311812 9.241759 9.174792 9.11065 9.045806 8.978983 8.910058 8.838894 8.76534 8.68923 8.610381 8.528587 8.443621 8.355225 8.263112 8.166955 8.066383 7.960971 7.850228 7.733588 7.610386 7.479841 7.34102 7.192804 7.033827 6.862404 6.676419 6.473166 6.249109 5.999497 5.717741 5.394322 5.014744 4.55532 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3666e-09 1.2750324e-09 1.2182825e-09 1.1770506e-09 1.1446474e-09 1.1179508e-09 1.0952486e-09 1.0754996000000001e-09 1.0580232e-09 1.0423499e-09 1.0281422e-09 1.0151493000000001e-09 1.0031797e-09 9.92084e-10 9.817431e-10 9.720609e-10 9.629584e-10 9.543702e-10 9.462412e-10 9.385248e-10 9.311812000000001e-10 9.241759e-10 9.174792000000001e-10 9.11065e-10 9.045806000000001e-10 8.978982999999999e-10 8.910058e-10 8.838894000000001e-10 8.76534e-10 8.689230000000001e-10 8.610381000000001e-10 8.528587e-10 8.443621e-10 8.355225000000001e-10 8.263112e-10 8.166955e-10 8.066383e-10 7.960971e-10 7.850228000000001e-10 7.733588e-10 7.610386000000001e-10 7.479841000000001e-10 7.341020000000001e-10 7.192804e-10 7.033826999999999e-10 6.862404e-10 6.676419000000001e-10 6.473166e-10 6.249109e-10 5.999497e-10 5.717741e-10 5.394322e-10 5.014744000000001e-10 4.5553200000000005e-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" [ 0.00699471 0.0104861 0.0135576 0.0163659 0.0189973 0.0214587 0.023783 0.0259688 0.0280221 0.0299468 0.0317452 0.0334236 0.0349782 0.0364068 0.0377083 0.03889 0.0399426 0.0408625 0.0416473 0.0422944 0.0428012 0.0431648 0.0433823 0.0434574 0.0433721 0.0430867 0.0425485 0.0416912 0.040433 0.0386609 0.0362334 0.0329658 0.0286156 0.0228613 0.015273 0.00526112 -0.00797468 -0.0255607 -0.0491002 -0.0808952 -0.124319 -0.184506 -0.269384 -0.391607 -0.572043 -0.846571 -1.27985 -1.9954 -3.24606 -5.59655 -10.4558 -21.8944 -54.3164 -176.528 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.120676092360614e-21 1.68005844017874e-21 2.1721669933118397e-21 2.62210625743806e-21 3.0437030169088202e-21 3.43806277360158e-21 3.8104566886421995e-21 4.1606604573019195e-21 4.48963538556114e-21 4.79800632230712e-21 5.08614176816568e-21 5.355051094416239e-21 5.60412547393788e-21 5.83301242787112e-21 6.04153571678622e-21 6.230864929626e-21 6.39951004212084e-21 6.5468942706825e-21 6.672633092918819e-21 6.77630994290496e-21 6.857508254716079e-21 6.91576339712832e-21 6.950610738917819e-21 6.962643085439159e-21 6.948976518751139e-21 6.90325039761678e-21 6.8170212511749e-21 6.679666648342079e-21 6.4780807842521994e-21 6.1941590629410594e-21 5.805230685037559e-21 5.28170344811172e-21 4.58472456878904e-21 3.66278406828642e-21 2.4470043731082e-21 8.429243532670079e-22 -1.2776845959627119e-21 -4.0952756288683795e-21 -7.866719316472679e-21 -1.296083992427568e-20 -1.9918099696224598e-20 -2.95611202032804e-20 -4.31600750373456e-20 -6.27423585110838e-20 -9.165139282432619e-20 -1.3563562752220138e-19 -2.0505457650248996e-19 -3.1969832554836e-19 -5.20076148456204e-19 -8.9666616410127e-19 -1.6752038449777198e-18 -3.50786960954496e-18 -8.702446692299759e-18 -2.8282903684675194e-17 ] } }