{ "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 5.383653 5.356365 5.327567 5.297081 5.264696 5.230162 5.193171 5.153348 5.110222 5.063196 5.011493 4.954079 4.889535 4.815836 4.729946 4.627018 4.498579 4.32766 ] "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 5.383653e-10 5.356365e-10 5.327567e-10 5.297081e-10 5.264696e-10 5.230162e-10 5.193171e-10 5.153348e-10 5.110222e-10 5.063195999999999e-10 5.011493e-10 4.954079e-10 4.889535e-10 4.815836e-10 4.729946000000001e-10 4.6270179999999997e-10 4.4985790000000004e-10 4.32766e-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 2.71243 2.70868 2.70173 2.69088 2.67522 2.6536 2.62456 2.58618 2.53599 2.47067 2.38585 2.27567 2.13242 1.94506 1.6901 1.31546 0.692612 -0.535093 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5522800342984257e-20 7.784431460416128e-20 1.4273278818188544e-19 1.912133709859968e-19 2.281803921577152e-19 2.5787032711776003e-19 2.8269605385705604e-19 3.04077100861632e-19 3.22854610857408e-19 3.3953166730331525e-19 3.5441268375730566e-19 3.6769312576711683e-19 3.795123826987584e-19 3.899745960325824e-19 3.9916468112949123e-19 4.071563381140416e-19 4.1401205187444483e-19 4.197943072989121e-19 4.245543740393088e-19 4.283467261007424e-19 4.3121782660521604e-19 4.3321574085135364e-19 4.343837276079168e-19 4.347634434670464e-19 4.345791931556544e-19 4.3397837692285445e-19 4.3286486417139844e-19 4.311265025378304e-19 4.286174939496576e-19 4.25153588095488e-19 4.205008671886848e-19 4.1435171331805443e-19 4.063103888582592e-19 3.9584497117119366e-19 3.82255309073568e-19 3.646025270655936e-19 3.4165134697263363e-19 3.1163296580532483e-19 2.70783870681408e-19 2.1075992575975683e-19 1.1096867536855296e-19 -8.573134945537345e-20 ] } }