{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.11707 7.573196 7.236125 6.991225 6.798763 6.640196 6.505355 6.388054 6.284251 6.191158 6.10677 6.029598 5.958503 5.892599 5.831179 5.77367 5.719605 5.668595 5.620312 5.57448 5.530862 5.489253 5.449478 5.41138 5.372865 5.333175 5.292236 5.249967 5.206279 5.161073 5.11424 5.065657 5.01519 4.962687 4.907975 4.850862 4.791126 4.728515 4.662738 4.593458 4.520281 4.442742 4.360288 4.272253 4.177827 4.076008 3.965541 3.844817 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.117070000000001e-10 7.573196e-10 7.236125e-10 6.991225e-10 6.798763e-10 6.640196e-10 6.505355e-10 6.388054000000001e-10 6.284251000000001e-10 6.191158e-10 6.10677e-10 6.029598e-10 5.958503000000001e-10 5.892599e-10 5.831179e-10 5.77367e-10 5.719605e-10 5.668595e-10 5.620312e-10 5.574480000000001e-10 5.530862e-10 5.489253e-10 5.449478e-10 5.41138e-10 5.372865e-10 5.333175e-10 5.292236e-10 5.249967e-10 5.206279e-10 5.161073000000001e-10 5.11424e-10 5.065657e-10 5.015189999999999e-10 4.962687e-10 4.907975e-10 4.850862000000001e-10 4.791126e-10 4.728515e-10 4.662738000000001e-10 4.5934580000000003e-10 4.520281e-10 4.442742e-10 4.3602879999999997e-10 4.2722530000000003e-10 4.177827e-10 4.076008e-10 3.965541e-10 3.844817e-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" [ 1.25917 1.78842 2.18389 2.5018 2.76564 2.99006 3.18413 3.35401 3.50846 3.64607 3.76914 3.87937 3.97809 4.06596 4.14003 4.20495 4.2612 4.30921 4.34929 4.3817 4.40666 4.42432 4.43485 4.43833 4.43449 4.42183 4.39848 4.3624 4.31011 4.23784 4.14092 4.01262 3.84608 3.63244 3.36002 3.01425 2.57677 2.02251 1.32021 0.429096 -0.704823 -2.14973 -3.99878 -6.37789 -9.46229 -13.4987 -18.8443 -26.034 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0174127522337797e-19 2.8653647357782796e-19 3.4989775292262595e-19 4.0083255029411994e-19 4.43104378605576e-19 4.79060426625804e-19 5.10153868561842e-19 5.37371645220234e-19 5.62117263332364e-19 5.841648159928379e-19 6.03882803827476e-19 6.21543596864058e-19 6.37360284594906e-19 6.514386106778639e-19 6.63305933005902e-19 6.7370726371383e-19 6.827195072800799e-19 6.90411557299914e-19 6.968330812489859e-19 7.0202573571978e-19 7.060247685982439e-19 7.08854212533888e-19 7.1054130452949e-19 7.110988619981219e-19 7.10483626170666e-19 7.08455270552022e-19 7.04714188111632e-19 6.9893353481616e-19 6.905557531969739e-19 6.78976822663056e-19 6.63448526726328e-19 6.428926005121079e-19 6.16209950849472e-19 5.81981049240696e-19 5.38334553377268e-19 4.8293609190345e-19 4.1284406851921795e-19 3.2404182640313397e-19 2.11520961397314e-19 6.874875849428639e-20 -1.129250941705782e-19 -3.4442471754088196e-19 -6.406751880506519e-19 -1.021850633222226e-18 -1.5160259942131857e-18 -2.1627301729375798e-18 -3.0191897144086198e-18 -4.1711066489556e-18 ] } }