{ "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.21187 4.862655 4.646226 4.488979 4.365401 4.263588 4.177008 4.10169 4.03504 3.975266 3.921082 3.87153 3.825881 3.783565 3.744127 3.707202 3.672488 3.639735 3.608733 3.579305 3.551298 3.524582 3.499042 3.47458 3.457927 3.4404 3.421903 3.402321 3.381521 3.359339 3.33558 3.310001 3.282301 3.252096 3.218887 3.182011 3.140554 3.093216 3.038049 2.971939 2.889441 2.77966 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.21187e-10 4.862655e-10 4.6462260000000005e-10 4.4889789999999997e-10 4.3654010000000006e-10 4.2635880000000005e-10 4.177008e-10 4.10169e-10 4.0350400000000004e-10 3.975266e-10 3.9210820000000005e-10 3.8715300000000003e-10 3.825881e-10 3.783565e-10 3.7441270000000004e-10 3.707202e-10 3.6724880000000003e-10 3.639735e-10 3.6087330000000003e-10 3.5793050000000003e-10 3.5512980000000003e-10 3.5245820000000004e-10 3.4990420000000005e-10 3.47458e-10 3.4579270000000004e-10 3.4404e-10 3.4219030000000003e-10 3.402321e-10 3.381521e-10 3.359339e-10 3.33558e-10 3.3100010000000003e-10 3.282301e-10 3.252096e-10 3.218887e-10 3.1820110000000004e-10 3.140554e-10 3.093216e-10 3.038049e-10 2.971939e-10 2.889441e-10 2.77966e-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" [ 0.81806 0.774978 0.669691 0.642241 1.88503 3.02714 4.00723 4.83521 5.53347 6.12439 6.62691 7.05615 7.42394 7.73937 8.00947 8.2396 8.43396 8.59583 8.72786 8.83224 8.91085 8.96534 8.99714 9.00753 9.00263 8.98636 8.95622 8.90897 8.84051 8.74544 8.61663 8.44441 8.21539 7.91051 7.50172 6.94623 6.17579 5.07564 3.44012 0.869313 -3.50548 -11.9225 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.310676606411648e-19 1.2416516332343423e-19 1.0729632633601729e-19 1.0289835151192128e-19 3.0201509955066243e-19 4.850012935888513e-19 6.420290220168385e-19 7.746860418658368e-19 8.865596265898176e-19 9.812354474661312e-19 1.0617480270145729e-18 1.130519856285792e-18 1.1894463102221954e-18 1.2399837673720897e-18 1.2832585578998977e-18 1.3201294484743679e-18 1.351269353276237e-18 1.3772037862371265e-18 1.398357324161549e-18 1.4150808437294593e-18 1.427675554145568e-18 1.4364058145523072e-18 1.4415007362064512e-18 1.4431653977154623e-18 1.4423803311712705e-18 1.4397735898092288e-18 1.4349446294741376e-18 1.4273743449408577e-18 1.4164058437948609e-18 1.4011739506609153e-18 1.3805363136083906e-18 1.3529436278449728e-18 1.3162505788754112e-18 1.267403418060461e-18 1.2019080399787776e-18 1.1129087308699584e-18 9.894706352970433e-19 8.132071743597313e-19 5.511679836746496e-19 1.3927929647575104e-19 -5.616398100681984e-19 -1.9101950761488e-18 ] } }