{ "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 6.417962 6.385432 6.351101 6.314758 6.276152 6.234983 6.190886 6.143412 6.092001 6.035941 5.974305 5.905862 5.828919 5.74106 5.63867 5.515969 5.362854 5.1591 ] "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 6.417962e-10 6.385432e-10 6.351101e-10 6.314758000000001e-10 6.276152e-10 6.234983e-10 6.190886e-10 6.143411999999999e-10 6.092001e-10 6.035941e-10 5.974305e-10 5.905862000000001e-10 5.828919e-10 5.741060000000001e-10 5.63867e-10 5.515969e-10 5.362854e-10 5.159099999999999e-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 5.12148 5.10638 5.07765 5.03127 4.96213 4.8628 4.72308 4.52867 4.25891 3.88311 3.35416 2.59731 1.48648 -0.200985 -2.89423 -7.50945 -16.3055 -36.3371 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3224558089277696e-19 1.982277002318592e-19 2.56220085198336e-19 3.093690902401344e-19 3.5904938289790084e-19 4.0558780720227845e-19 4.4949065096544e-19 4.9075951636400635e-19 5.295241797042625e-19 5.658631476406272e-19 5.998565290041408e-19 6.315716152128769e-19 6.60921888729312e-19 6.878929299638592e-19 7.125696542774209e-19 7.349072007246144e-19 7.547805995290176e-19 7.721481940984896e-19 7.869651234876481e-19 7.991833223978688e-19 8.087515211772865e-19 8.156152458207937e-19 8.198433899230849e-19 8.212709292922176e-19 8.205515519894785e-19 8.181322652920704e-19 8.135292118605121e-19 8.060983166932417e-19 7.950208675370304e-19 7.79106447162624e-19 7.567208354168066e-19 7.2557291973183365e-19 6.823526032091329e-19 6.221428057994688e-19 5.373956734422528e-19 4.1613493589700477e-19 2.3816035032867843e-19 -3.22013468131488e-20 -4.637067641217984e-19 -1.2031465225066561e-18 -2.61242908904544e-18 -5.821845208767168e-18 ] } }