{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.80557 8.215564 7.849902 7.584229 7.375443 7.203426 7.057147 6.929897 6.817289 6.7163 6.624754 6.541036 6.463911 6.392417 6.325786 6.2634 6.204749 6.149412 6.097034 6.047314 5.999996 5.954859 5.911709 5.87038 5.842244 5.812632 5.781381 5.748298 5.713155 5.675679 5.635537 5.592321 5.545522 5.49449 5.438383 5.376079 5.306037 5.226059 5.132853 5.021158 4.881778 4.6963 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.80557e-10 8.215564000000001e-10 7.849902000000001e-10 7.584228999999999e-10 7.375443e-10 7.203426e-10 7.057147e-10 6.929897000000001e-10 6.817289e-10 6.716300000000001e-10 6.624754000000001e-10 6.541036000000001e-10 6.463911e-10 6.392417e-10 6.325786e-10 6.2634e-10 6.204748999999999e-10 6.149412e-10 6.097034e-10 6.047314000000001e-10 5.999996000000001e-10 5.954859e-10 5.911709e-10 5.870380000000001e-10 5.842244e-10 5.812632e-10 5.781380999999999e-10 5.748298e-10 5.713155000000001e-10 5.675679e-10 5.635537e-10 5.592321e-10 5.545522e-10 5.49449e-10 5.438383e-10 5.376079e-10 5.306037e-10 5.226059000000001e-10 5.132853e-10 5.021158e-10 4.881778e-10 4.6963e-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" [ 1.20536 2.02295 2.60389 3.04824 3.40312 3.69432 3.93751 4.14298 4.31786 4.46729 4.59512 4.70529 4.80121 4.88448 4.95638 5.01799 5.07021 5.11379 5.14937 5.17754 5.19876 5.21347 5.22206 5.22485 5.2235 5.21907 5.21086 5.19799 5.17933 5.15342 5.11833 5.07179 5.01051 4.9304 4.82553 4.68578 4.4952 4.22718 3.83434 3.22429 2.19257 0.190492 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.931199611647488e-19 3.24112319504736e-19 4.171891681134912e-19 4.883818862587392e-19 5.452399301776896e-19 5.918953133753856e-19 6.308586466166209e-19 6.637785696441984e-19 6.917974343887488e-19 7.157387596333632e-19 7.362193833770496e-19 7.538705632084032e-19 7.692386413551169e-19 7.825799660765184e-19 7.940996159800705e-19 8.039706261408193e-19 8.123371924546369e-19 8.193194781680833e-19 8.250200225848896e-19 8.295333541256832e-19 8.329331729150208e-19 8.352899747242177e-19 8.366662444414849e-19 8.371132517186881e-19 8.3689695787488e-19 8.361871936318657e-19 8.348718066261889e-19 8.328098053152192e-19 8.298201437408065e-19 8.256689041163136e-19 8.200468663539265e-19 8.125903363607232e-19 8.027721980284609e-19 7.89937161119232e-19 7.731351348969024e-19 7.507447166212225e-19 7.20210434582016e-19 6.772688967913344e-19 6.143289904198272e-19 5.165882056679232e-19 3.512884393467456e-19 3.052018288494336e-20 ] } }