{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.67331 9.025162 8.623465 8.331612 8.10225 7.913282 7.752588 7.612797 7.489093 7.378152 7.277585 7.185616 7.100891 7.022351 6.949155 6.880621 6.81619 6.7554 6.69786 6.643241 6.59126 6.541674 6.494272 6.44887 6.402971 6.355671 6.306884 6.256511 6.204447 6.150574 6.094761 6.036865 5.976722 5.914152 5.848951 5.780888 5.709699 5.635085 5.556697 5.474135 5.386928 5.294523 5.196261 5.091348 4.978818 4.857479 4.725832 4.581962 4.423366 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.673310000000001e-10 9.025162e-10 8.623464999999999e-10 8.331612e-10 8.10225e-10 7.913282e-10 7.752588000000001e-10 7.612797e-10 7.489093e-10 7.378152000000001e-10 7.277585e-10 7.185615999999999e-10 7.100891e-10 7.022350999999999e-10 6.949155e-10 6.880620999999999e-10 6.81619e-10 6.7554e-10 6.697860000000001e-10 6.643241e-10 6.59126e-10 6.541674e-10 6.494271999999999e-10 6.44887e-10 6.402971000000001e-10 6.355671e-10 6.306884e-10 6.256510999999999e-10 6.204447e-10 6.150574e-10 6.094761e-10 6.036865e-10 5.976721999999999e-10 5.914152e-10 5.848951e-10 5.780888e-10 5.709699e-10 5.635085e-10 5.556697e-10 5.474135000000001e-10 5.386928e-10 5.294523e-10 5.196261e-10 5.091348000000001e-10 4.978818000000001e-10 4.857479e-10 4.725832e-10 4.581962e-10 4.423366e-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" [ 0.825412 1.23724 1.5992 1.93093 2.24101 2.53148 2.8055 3.06308 3.30503 3.53184 3.74401 3.94196 4.12515 4.29349 4.44751 4.58693 4.71097 4.81937 4.91185 4.98811 5.04783 5.09067 5.11706 5.12597 5.11591 5.08228 5.01887 4.91825 4.76999 4.56117 4.27511 3.89007 3.37745 2.69964 1.80545 0.625823 -0.933208 -3.0055 -5.77935 -9.52438 -14.6414 -21.7325 -31.7343 -46.1366 -67.3984 -99.7475 -150.803 -235.12 -382.494 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.322455819823208e-19 1.9822770186501598e-19 2.5622008730928e-19 3.09369092788962e-19 3.59049385856034e-19 4.05587810543832e-19 4.494906546687e-19 4.907595204072719e-19 5.29524184066902e-19 5.658631523026559e-19 5.998565339462339e-19 6.31571620416264e-19 6.609218941745099e-19 6.87892935631266e-19 7.12569660148134e-19 7.349072067793619e-19 7.547806057474979e-19 7.72148200460058e-19 7.8696512997129e-19 7.99183328982174e-19 8.08751527840422e-19 8.15615252540478e-19 8.19843396677604e-19 8.212709360584979e-19 8.19659146364694e-19 8.14271026344552e-19 8.041116243083579e-19 7.879905230170499e-19 7.64236652241366e-19 7.307799997701779e-19 6.849481349779739e-19 6.232579258624379e-19 5.4112714725033e-19 4.32530012821176e-19 2.8926498038552996e-19 1.0026789876197819e-19 -1.4951640522618718e-19 -4.815341873487e-19 -9.2595395297079e-19 -1.525973908933692e-18 -2.34581089690476e-18 -3.4819303698405e-18 -5.08439539563462e-18 -7.39189824922044e-18 -1.0798414164898558e-17 -1.59813113799915e-17 -2.4161304293710198e-17 -3.7670377018607996e-17 -6.12822949445196e-17 ] } }