{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.29757 8.674598 8.288506 8.007989 7.787536 7.605908 7.451456 7.317096 7.198197 7.091565 6.994904 6.906508 6.825074 6.749585 6.679232 6.61336 6.551432 6.493003 6.437698 6.3852 6.335239 6.287579 6.242018 6.19838 6.168672 6.137405 6.104408 6.069476 6.03237 5.9928 5.950415 5.904785 5.855371 5.801488 5.742246 5.676461 5.602505 5.518059 5.419645 5.301709 5.154541 4.9587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.297570000000001e-10 8.674598e-10 8.288506000000001e-10 8.007989e-10 7.787536e-10 7.605908000000001e-10 7.451456000000001e-10 7.317096e-10 7.198197000000001e-10 7.091565000000001e-10 6.994904000000001e-10 6.906508e-10 6.825074000000001e-10 6.749585e-10 6.679232e-10 6.613360000000001e-10 6.551432000000001e-10 6.493003e-10 6.437698000000001e-10 6.385200000000001e-10 6.335239e-10 6.287579000000001e-10 6.242018e-10 6.198380000000001e-10 6.168672e-10 6.137405e-10 6.104408000000001e-10 6.069476e-10 6.032370000000001e-10 5.9928e-10 5.950415e-10 5.904785e-10 5.855371e-10 5.801488e-10 5.742246e-10 5.676461e-10 5.602505e-10 5.518059e-10 5.419645e-10 5.301709e-10 5.154541e-10 4.958700000000001e-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" [ 1.13409 1.39866 1.55212 1.66233 1.74989 1.82338 1.88707 1.94329 1.99344 2.03843 2.07883 2.11506 2.1474 2.17608 2.20125 2.22305 2.24159 2.25711 2.26981 2.27989 2.2875 2.2928 2.29589 2.2969 2.29641 2.2948 2.29182 2.28713 2.28031 2.27083 2.25795 2.2407 2.21772 2.18713 2.14619 2.09081 2.01459 1.90711 1.7501 1.50882 1.10859 0.356143 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.81701249885306e-19 2.24090037091044e-19 2.48677039716408e-19 2.66334628399722e-19 2.80363287007026e-19 2.9213768309029196e-19 3.0234194607223797e-19 3.11349383108586e-19 3.19384298928096e-19 3.26592491604462e-19 3.3306528520582196e-19 3.38869971150804e-19 3.4405141038516e-19 3.4864645297147194e-19 3.5267913155924996e-19 3.5617187662137e-19 3.59142312100806e-19 3.6162889023677397e-19 3.63663654561954e-19 3.6527864860902597e-19 3.664979050275e-19 3.6734705864352e-19 3.6784213122342597e-19 3.6800395106345994e-19 3.6792544440839395e-19 3.6766749397031996e-19 3.6719004533338796e-19 3.6643862449204195e-19 3.6534594002765397e-19 3.63827076578622e-19 3.6176347307403e-19 3.5899971838037997e-19 3.5531791647544797e-19 3.5041685815204196e-19 3.4385754701244597e-19 3.3498469281335396e-19 3.22772902509006e-19 3.05552708046774e-19 2.8039693271634e-19 2.41739614891188e-19 1.7761569946860598e-19 5.70603992962662e-20 ] } }