{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.4876 5.119911 4.892031 4.726465 4.59635 4.48915 4.397989 4.318687 4.24851 4.185574 4.128523 4.07635 4.028287 3.983731 3.942208 3.903329 3.866778 3.832292 3.79965 3.768665 3.739176 3.711047 3.684156 3.6584 3.640866 3.622412 3.602936 3.582319 3.560418 3.537063 3.512047 3.485115 3.45595 3.424147 3.389182 3.350354 3.306705 3.256863 3.198777 3.12917 3.042309 2.92672 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.4876e-10 5.119911e-10 4.892031000000001e-10 4.726465e-10 4.5963500000000004e-10 4.4891500000000005e-10 4.3979890000000003e-10 4.318687e-10 4.24851e-10 4.185574e-10 4.1285230000000004e-10 4.07635e-10 4.028287e-10 3.9837310000000005e-10 3.942208e-10 3.903329e-10 3.866778e-10 3.832292e-10 3.7996500000000004e-10 3.768665e-10 3.739176e-10 3.7110470000000004e-10 3.6841560000000005e-10 3.6584e-10 3.640866e-10 3.6224120000000005e-10 3.602936e-10 3.582319e-10 3.560418e-10 3.537063e-10 3.512047e-10 3.4851150000000003e-10 3.4559500000000004e-10 3.424147e-10 3.389182e-10 3.350354e-10 3.306705e-10 3.256863e-10 3.1987770000000003e-10 3.1291699999999996e-10 3.042309e-10 2.92672e-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" [ 0.607218 1.17362 1.53821 1.8733 2.20793 2.52179 2.79387 3.02027 3.20319 3.34773 3.46269 3.55519 3.63021 3.69141 3.7415 3.78228 3.81489 3.84026 3.85926 3.87297 3.88238 3.88831 3.89143 3.8924 3.8919 3.89018 3.88686 3.88148 3.87339 3.86179 3.84564 3.82395 3.79551 3.75875 3.71119 3.64832 3.56312 3.44339 3.25672 2.89584 2.09207 0.28081 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.72870491344212e-20 1.88034654119508e-19 2.46448412018514e-19 3.0013574884721997e-19 3.53749385550762e-19 4.04035301385486e-19 4.47627323243358e-19 4.83900602237118e-19 5.13207617226246e-19 5.36365478294082e-19 5.547841008785459e-19 5.6960423474304595e-19 5.81623763851314e-19 5.91429084851394e-19 5.994543876110999e-19 6.05988063924552e-19 6.11212761928026e-19 6.152774840484839e-19 6.18321619653084e-19 6.20518203818298e-19 6.22025852030892e-19 6.22975942774854e-19 6.23475821884662e-19 6.2363123301816e-19 6.2355112418646e-19 6.23275549805412e-19 6.22743627162924e-19 6.218816561338319e-19 6.20585495236926e-19 6.18726970341486e-19 6.161394550775759e-19 6.1266433395843e-19 6.08107743611334e-19 6.0221814230475e-19 5.94598190233446e-19 5.84525305735488e-19 5.70874760813808e-19 5.51691899974926e-19 5.21784068748048e-19 4.63964718380256e-19 3.35186567069238e-19 4.4990722059354e-20 ] } }