{ "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" [ "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" [ 8.0055 7.469102 7.136664 6.89513 6.705313 6.548926 6.415938 6.300249 6.197873 6.10606 6.022832 5.94672 5.876603 5.811605 5.751028 5.694311 5.640989 5.59068 5.54306 5.497858 5.45484 5.413803 5.374574 5.337 5.31142 5.284499 5.256087 5.22601 5.194061 5.15999 5.123495 5.084206 5.041659 4.995264 4.944255 4.887612 4.823935 4.751224 4.666487 4.564941 4.438225 4.2696 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0055e-10 7.469102e-10 7.136664e-10 6.895130000000001e-10 6.705313000000001e-10 6.548926e-10 6.415938e-10 6.300249e-10 6.197873000000001e-10 6.106060000000001e-10 6.022832e-10 5.94672e-10 5.876603e-10 5.811605e-10 5.751028e-10 5.694311e-10 5.640989e-10 5.59068e-10 5.54306e-10 5.497858e-10 5.45484e-10 5.413803e-10 5.374574e-10 5.337e-10 5.31142e-10 5.284499e-10 5.256087e-10 5.226009999999999e-10 5.194061e-10 5.15999e-10 5.123495e-10 5.084206e-10 5.041659000000001e-10 4.995264e-10 4.944255e-10 4.887612e-10 4.823935e-10 4.751223999999999e-10 4.666487e-10 4.564941e-10 4.4382250000000005e-10 4.2696e-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" [ 0.98595 1.47788 1.91023 2.30649 2.67688 3.02384 3.35115 3.65883 3.94784 4.21876 4.4722 4.70865 4.92746 5.12855 5.31251 5.47905 5.62722 5.7567 5.86717 5.95826 6.0296 6.08078 6.1123 6.12294 6.11759 6.09956 6.06523 6.00983 5.92725 5.80861 5.64171 5.40949 5.08728 4.63839 4.00657 3.10251 1.77565 -0.24001 -3.45707 -8.96992 -19.4767 -43.4045 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.57966603927776e-19 2.3678247843479045e-19 3.0605258463507844e-19 3.6954043541089924e-19 4.2888345526871044e-19 4.844725753039872e-19 5.36913418279392e-19 5.862091885481664e-19 6.325136950659072e-19 6.759198640766208e-19 7.16525428354176e-19 7.54408894552992e-19 7.894661211927168e-19 8.21684290860384e-19 8.511579319766208e-19 8.77840581419424e-19 9.015800324098178e-19 9.223250152959361e-19 9.400242604259136e-19 9.546184872647809e-19 9.66048415277568e-19 9.742483552228225e-19 9.79298415931584e-19 9.810031318561152e-19 9.801459673639873e-19 9.77257242916685e-19 9.717569705774784e-19 9.628809120982465e-19 9.4965013756368e-19 9.306419141345088e-19 9.039015863333568e-19 8.666958408451393e-19 8.150721079463424e-19 7.431520016152513e-19 6.419232783598656e-19 4.970768987798209e-19 2.84490491672352e-19 -3.8453841075820804e-20 -5.538836730469056e-19 -1.4371396114446336e-18 -3.1205113390335365e-18 -6.954167513751361e-18 ] } }