{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.11437 7.570677 7.233718 6.988899 6.796502 6.637988 6.503191 6.385929 6.282161 6.189099 6.104739 6.027592 5.956521 5.890639 5.829239 5.77175 5.717703 5.666709 5.618443 5.572626 5.529022 5.487427 5.447665 5.40958 5.371078 5.331401 5.290476 5.248221 5.204547 5.159356 5.112538 5.063972 5.013522 4.961036 4.906343 4.849248 4.789532 4.726942 4.661187 4.59193 4.518778 4.441265 4.358838 4.270832 4.176438 4.074653 3.964222 3.843538 3.710501 3.56229 3.394994 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.114369999999999e-10 7.570677e-10 7.233718e-10 6.988899e-10 6.796502000000001e-10 6.637988000000001e-10 6.503191e-10 6.385929000000001e-10 6.282161e-10 6.189099e-10 6.104739000000001e-10 6.027592e-10 5.956521000000001e-10 5.890639e-10 5.829239000000001e-10 5.77175e-10 5.717703000000001e-10 5.666709e-10 5.618443e-10 5.572626e-10 5.529022e-10 5.487427e-10 5.447665e-10 5.40958e-10 5.371078e-10 5.331401e-10 5.290476e-10 5.248221e-10 5.204547e-10 5.159356e-10 5.112538e-10 5.063972e-10 5.013522e-10 4.961036e-10 4.906343e-10 4.849248e-10 4.789532000000001e-10 4.726942e-10 4.661187e-10 4.5919299999999997e-10 4.518778e-10 4.4412649999999997e-10 4.3588380000000007e-10 4.270832000000001e-10 4.1764380000000004e-10 4.074653e-10 3.964222e-10 3.8435380000000004e-10 3.710501e-10 3.56229e-10 3.3949940000000003e-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" [ 0.0968857 0.485866 0.890868 1.19346 1.42419 1.6095 1.76445 1.8979 2.0151 2.11919 2.21207 2.29496 2.36873 2.43403 2.49139 2.54127 2.58406 2.62015 2.64986 2.67353 2.69145 2.70392 2.71121 2.71358 2.71104 2.70284 2.68804 2.66555 2.63415 2.59246 2.53892 2.47184 2.38944 2.2899 2.17161 2.03324 1.87156 1.68034 1.44983 1.16521 0.804896 0.339483 -0.269702 -1.07353 -2.1409 -3.57029 -5.51467 -8.23243 -12.1673 -18.0852 -27.3715 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.552280047087338e-20 7.784431524550439e-20 1.4273278935783118e-19 1.9121337256136397e-19 2.28180394037646e-19 2.5787032924229995e-19 2.8269605618613e-19 3.0407710336685995e-19 3.2285461351733998e-19 3.39531670100646e-19 3.54412686677238e-19 3.67693128796464e-19 3.7951238582548193e-19 3.8997459924550197e-19 3.9916468441812595e-19 4.0715634146851794e-19 4.14012055285404e-19 4.1979431075751003e-19 4.2455437753712397e-19 4.28346729629802e-19 4.3121783015793e-19 4.33215744420528e-19 4.34383731186714e-19 4.34763447048972e-19 4.34356494183936e-19 4.33042709344056e-19 4.3067148792573596e-19 4.2706819267587e-19 4.2203735804510997e-19 4.1535788365796397e-19 4.06779829959528e-19 3.960324290986559e-19 3.8283049363449597e-19 3.6688242741965995e-19 3.4793028001607396e-19 3.2576096193141602e-19 2.9985697011290397e-19 2.6922014851755595e-19 2.32288374927222e-19 1.86687223570314e-19 1.2895855640000638e-19 5.439117302402219e-20 -4.32110242543068e-20 -1.71998468189802e-19 -3.4300999557305994e-19 -5.720235214603859e-19 -8.835475418220778e-19 -1.318980698704062e-18 -1.9494163758868196e-18 -2.8975684861216797e-18 -4.3853977737531e-18 ] } }