{ "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" [ 6.03816 5.633581 5.382839 5.200662 5.057492 4.939537 4.83923 4.751972 4.674755 4.605505 4.54273 4.485323 4.432436 4.383411 4.337722 4.294942 4.254724 4.216778 4.180861 4.146768 4.114321 4.083369 4.05378 4.02544 4.006147 3.985841 3.964411 3.941726 3.917628 3.891929 3.864403 3.83477 3.802678 3.767685 3.729211 3.686488 3.638459 3.583617 3.519703 3.443112 3.347536 3.22035 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.038160000000001e-10 5.633581e-10 5.382839e-10 5.200662000000001e-10 5.057492e-10 4.939537e-10 4.839229999999999e-10 4.751972e-10 4.674755e-10 4.6055050000000003e-10 4.54273e-10 4.485323e-10 4.432436e-10 4.383411e-10 4.337722e-10 4.294942e-10 4.2547240000000007e-10 4.216778e-10 4.1808610000000005e-10 4.1467679999999997e-10 4.1143210000000004e-10 4.0833690000000005e-10 4.05378e-10 4.0254399999999997e-10 4.006147e-10 3.9858410000000005e-10 3.964411e-10 3.941726e-10 3.917628e-10 3.891929e-10 3.864403e-10 3.83477e-10 3.802678e-10 3.767685e-10 3.729211e-10 3.6864880000000005e-10 3.6384590000000003e-10 3.583617e-10 3.519703e-10 3.4431120000000004e-10 3.347536e-10 3.22035e-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" [ 0.756698 1.07119 1.42508 1.77616 2.06731 2.29652 2.49488 2.68344 2.86249 2.95228 3.01967 3.07853 3.13098 3.17849 3.22109 3.25835 3.28988 3.31577 3.33659 3.35299 3.36548 3.37421 3.37934 3.38101 3.38016 3.37736 3.37209 3.3637 3.35138 3.33382 3.30935 3.2761 3.23153 3.17211 3.09294 2.987 2.84318 2.66627 2.39687 1.94034 1.07723 -0.891191 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2123638446061185e-19 1.716235574434752e-19 2.283229858769664e-19 2.845722026800128e-19 3.312195749946048e-19 3.6794306531996165e-19 3.9972384077015043e-19 4.2993448313195523e-19 4.586214555273793e-19 4.730073994055424e-19 4.838044676531136e-19 4.932348792431424e-19 5.016382956192385e-19 5.092502367446593e-19 5.160755091492672e-19 5.22045219238368e-19 5.270968821237505e-19 5.312449173950016e-19 5.345806491195073e-19 5.372082187776193e-19 5.392093373769984e-19 5.406080375669568e-19 5.4142995417342725e-19 5.416975176691008e-19 5.415613326563329e-19 5.411127232025089e-19 5.402683761233472e-19 5.389241499384961e-19 5.369502683416704e-19 5.341368461955456e-19 5.30216320004448e-19 5.248890827402881e-19 5.177481815413824e-19 5.082280480605889e-19 4.955436157537153e-19 4.785701566329601e-19 4.555276524726144e-19 4.271835458740416e-19 3.840209077096896e-19 3.1087673844030723e-19 1.725912721224384e-19 -1.4278453848673727e-19 ] } }