{ "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" [ 8.99745 8.394588 8.020958 7.749495 7.536159 7.360394 7.210927 7.080904 6.965843 6.862653 6.769113 6.68357 6.604765 6.531712 6.46363 6.399884 6.339956 6.283413 6.229893 6.17909 6.130741 6.08462 6.04053 5.9983 5.955608 5.911613 5.866234 5.819381 5.770954 5.720845 5.668932 5.61508 5.559139 5.500941 5.440296 5.376988 5.310773 5.241371 5.16846 5.091666 5.010553 4.924604 4.833207 4.735623 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.997450000000001e-10 8.394588e-10 8.020958000000001e-10 7.749494999999999e-10 7.536159e-10 7.360394000000001e-10 7.210927e-10 7.080904e-10 6.965843e-10 6.862653e-10 6.769113e-10 6.68357e-10 6.604765000000001e-10 6.531712e-10 6.463630000000001e-10 6.399884e-10 6.339956e-10 6.283413e-10 6.229893e-10 6.179090000000001e-10 6.130741000000001e-10 6.08462e-10 6.04053e-10 5.998300000000001e-10 5.955608e-10 5.911613000000001e-10 5.866234e-10 5.819381e-10 5.770954e-10 5.720845e-10 5.668932e-10 5.61508e-10 5.559139e-10 5.500941000000001e-10 5.440296e-10 5.376988e-10 5.310773000000001e-10 5.241371e-10 5.16846e-10 5.091666000000001e-10 5.010553e-10 4.924604000000001e-10 4.833207e-10 4.735623000000001e-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" [ 1.02308 1.30552 1.41426 1.498 1.60896 1.71511 1.80726 1.89054 1.96701 2.0362 2.09721 2.15033 2.20653 2.26379 2.31645 2.3613 2.39718 2.42531 2.44706 2.46344 2.47524 2.48309 2.48742 2.48875 2.48744 2.48344 2.47658 2.46662 2.4531 2.43519 2.41149 2.37939 2.33566 2.27875 2.2048 2.10613 1.97579 1.81134 1.6111 1.37246 1.09641 0.770851 0.373018 -0.117972 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.63915487071272e-19 2.0916736392196798e-19 2.26589432640084e-19 2.4000605977319997e-19 2.57783811704064e-19 2.7479091667397395e-19 2.89554974356284e-19 3.02897901364236e-19 3.1514974608443395e-19 3.2623520621508e-19 3.36010085859114e-19 3.44520848138922e-19 3.5352508082200195e-19 3.62699144228286e-19 3.7113620638292997e-19 3.7832196858642e-19 3.84070578349212e-19 3.8857750122065397e-19 3.9206223539960396e-19 3.9468660072609594e-19 3.9657716915421597e-19 3.9783487781190595e-19 3.98528620294428e-19 3.9874170978674996e-19 3.9853182464769596e-19 3.9789095399409594e-19 3.9679186082317195e-19 3.9519609289570794e-19 3.9302995008654e-19 3.90160451735046e-19 3.86363293112466e-19 3.81220306117326e-19 3.7421398769684395e-19 3.6509600047275e-19 3.5324790426432e-19 3.3743922741664195e-19 3.1655645716908596e-19 2.9020866242295596e-19 2.5812667750374e-19 2.1989233430996397e-19 1.75664248328394e-19 1.2350394604955338e-19 5.97640723661412e-20 -1.89011981866248e-20 ] } }