{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.10078 7.557998 7.221603 6.977194 6.785119 6.62687 6.492299 6.375234 6.271639 6.178733 6.094515 6.017497 5.946545 5.880773 5.819476 5.762083 5.708127 5.657219 5.609033 5.563293 5.519762 5.478237 5.438541 5.40052 5.374636 5.347394 5.318645 5.28821 5.25588 5.221404 5.184475 5.144719 5.101665 5.054718 5.003102 4.945786 4.88135 4.807774 4.722029 4.619275 4.491051 4.32042 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.10078e-10 7.557998000000001e-10 7.221603e-10 6.977194000000001e-10 6.785119000000001e-10 6.626870000000001e-10 6.492299e-10 6.375234e-10 6.271639e-10 6.178733000000001e-10 6.094515000000001e-10 6.017497e-10 5.946545000000001e-10 5.880773e-10 5.819476e-10 5.762083e-10 5.708127e-10 5.657219000000001e-10 5.609033e-10 5.563293e-10 5.519762e-10 5.478237e-10 5.438541e-10 5.40052e-10 5.374636e-10 5.347394000000001e-10 5.318645e-10 5.28821e-10 5.25588e-10 5.221403999999999e-10 5.184475e-10 5.144719000000001e-10 5.101665e-10 5.054718000000001e-10 5.003102000000001e-10 4.945786e-10 4.881350000000001e-10 4.807774000000001e-10 4.722029e-10 4.619275e-10 4.491051e-10 4.3204200000000006e-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" [ 0.337632 0.613582 0.851133 1.08849 1.31377 1.51138 1.67702 1.81568 1.93239 2.03041 2.11266 2.18154 2.23896 2.28656 2.32621 2.3599 2.38903 2.41397 2.43467 2.45116 2.46357 2.47209 2.47702 2.47861 2.47784 2.47532 2.47062 2.4632 2.45227 2.43678 2.41541 2.38645 2.34769 2.29617 2.22905 2.14485 2.04219 1.91959 1.77712 1.61509 1.43509 1.28098 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.409461012906879e-20 9.830667434429879e-20 1.363665405026322e-19 1.74395324434266e-19 2.10489159645018e-19 2.4214977210949196e-19 2.68688225875068e-19 2.9090400708211197e-19 3.09603010577526e-19 3.2530754594399397e-19 3.38485448758644e-19 3.49521241413636e-19 3.58720939646064e-19 3.66347300423904e-19 3.72699930777714e-19 3.7809766385766e-19 3.8276480439250197e-19 3.8676063291769796e-19 3.90077138550078e-19 3.9271912781954395e-19 3.9470742902233794e-19 3.96072483514506e-19 3.96862356595068e-19 3.9711710267987403e-19 3.96993735079056e-19 3.9658998656728796e-19 3.9583696354930795e-19 3.9464814848687996e-19 3.9289696942591795e-19 3.90415197819852e-19 3.8699134635299397e-19 3.8235144282093e-19 3.7614140618754597e-19 3.6788699216917797e-19 3.5713318260177e-19 3.4364285534349e-19 3.27194910018846e-19 3.0755222448600594e-19 2.8472601398140797e-19 2.5876594598070597e-19 2.29926766568706e-19 2.05235622462132e-19 ] } }