{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.69704 7.18131 6.861681 6.629454 6.446951 6.296589 6.168725 6.057494 5.959063 5.870788 5.790766 5.717587 5.650172 5.587678 5.529435 5.474903 5.423636 5.375265 5.329481 5.28602 5.244659 5.205204 5.167486 5.13136 5.106766 5.080882 5.053565 5.024647 4.993929 4.96117 4.926082 4.888307 4.8474 4.802792 4.753749 4.699289 4.638065 4.568156 4.486684 4.38905 4.267217 4.10509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.697040000000001e-10 7.18131e-10 6.861681e-10 6.629454000000001e-10 6.446951e-10 6.296589e-10 6.168725e-10 6.057494e-10 5.959063e-10 5.870788e-10 5.790766e-10 5.717587e-10 5.650172e-10 5.587678e-10 5.529435e-10 5.474903e-10 5.423636e-10 5.375265e-10 5.329481e-10 5.28602e-10 5.244659000000001e-10 5.205204e-10 5.167486000000001e-10 5.13136e-10 5.106766000000001e-10 5.080882e-10 5.053565e-10 5.024647e-10 4.993929e-10 4.96117e-10 4.926082000000001e-10 4.888307000000001e-10 4.8474e-10 4.802792000000001e-10 4.753749e-10 4.699289e-10 4.6380650000000005e-10 4.568156e-10 4.4866840000000007e-10 4.3890500000000005e-10 4.2672169999999997e-10 4.10509e-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" [ 0.519067 0.681119 0.806112 0.91269 1.01476 1.13159 1.27532 1.44243 1.62015 1.79553 1.95966 2.10802 2.23899 2.35268 2.4501 2.53259 2.60157 2.65836 2.70412 2.7399 2.76656 2.78485 2.79544 2.79886 2.79722 2.79186 2.78197 2.76655 2.74428 2.71347 2.67193 2.61669 2.54375 2.44757 2.32009 2.14905 1.91608 1.5912 1.12256 0.412719 -0.744136 -2.86925 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.316370188804779e-20 1.091272946773446e-19 1.291533810787008e-19 1.4622905920854598e-19 1.62582476111784e-19 1.81300705726806e-19 2.0432879048728798e-19 2.31102764218062e-19 2.5957664735750996e-19 2.8767562116460197e-19 3.1397214625844396e-19 3.3774203880046793e-19 3.5872574617596596e-19 3.7694089232791196e-19 3.9254929709633997e-19 4.0576565215020595e-19 4.16817466571538e-19 4.25916227676024e-19 4.33247787953208e-19 4.3898037594966e-19 4.43251778855904e-19 4.4618215991949e-19 4.47878864974896e-19 4.48426809383724e-19 4.48164052415748e-19 4.473052857399239e-19 4.45720733048898e-19 4.4325017667927e-19 4.396821293153519e-19 4.347458231059979e-19 4.28090381368362e-19 4.19239957642146e-19 4.0755368127375e-19 3.9214394640793795e-19 3.71719398677706e-19 3.4431576952976995e-19 3.06989860487472e-19 2.5493834600207997e-19 1.79853940226304e-19 6.61248738207846e-20 -1.192237311718224e-19 -4.5970453071045e-19 ] } }