{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.2765 3.989959 3.812372 3.683346 3.581946 3.498405 3.427363 3.365563 3.310875 3.261828 3.217368 3.17671 3.139253 3.104532 3.072172 3.041874 3.013389 2.986514 2.961076 2.93693 2.913949 2.892028 2.871072 2.851 2.830708 2.809798 2.788229 2.765959 2.742942 2.719125 2.694451 2.668855 2.642266 2.614605 2.58578 2.555689 2.524217 2.491231 2.456576 2.420076 2.381522 2.340671 2.29723 2.250848 2.201099 2.147456 2.089256 2.025652 1.955538 1.877426 1.789257 1.688049 1.569268 1.4255 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2765000000000007e-10 3.989959e-10 3.812372e-10 3.683346e-10 3.581946e-10 3.498405e-10 3.427363e-10 3.365563e-10 3.3108749999999997e-10 3.261828e-10 3.2173680000000003e-10 3.17671e-10 3.139253e-10 3.104532e-10 3.0721720000000004e-10 3.041874e-10 3.0133890000000003e-10 2.9865140000000003e-10 2.961076e-10 2.9369299999999997e-10 2.913949e-10 2.892028e-10 2.871072e-10 2.8510000000000003e-10 2.8307080000000003e-10 2.809798e-10 2.788229e-10 2.765959e-10 2.7429420000000004e-10 2.719125e-10 2.694451e-10 2.668855e-10 2.642266e-10 2.614605e-10 2.5857800000000003e-10 2.5556890000000004e-10 2.524217e-10 2.491231e-10 2.456576e-10 2.420076e-10 2.381522e-10 2.340671e-10 2.29723e-10 2.250848e-10 2.2010990000000002e-10 2.147456e-10 2.089256e-10 2.025652e-10 1.955538e-10 1.8774260000000002e-10 1.7892570000000002e-10 1.6880489999999999e-10 1.569268e-10 1.4255000000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.21782 1.72816 2.11757 2.43411 2.69976 2.9269 3.12344 3.29479 3.44488 3.57669 3.6925 3.79416 3.88316 3.96075 4.02797 4.0857 4.1347 4.17564 4.20909 4.23556 4.25551 4.26932 4.27738 4.28 4.27713 4.2676 4.24978 4.2216 4.18053 4.12333 4.04593 3.94314 3.80832 3.63293 3.40585 3.11253 2.73373 2.24379 1.60802 0.779058 -0.308805 -1.74795 -3.67078 -6.27072 -9.83751 -14.8186 -21.9239 -32.3117 -47.9259 -72.1252 -110.861 -174.718 -281.353 -451.67 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9511627484178798e-19 2.7688175718134397e-19 3.39272117485938e-19 3.8998741665857396e-19 4.3254923894078394e-19 4.689410790054599e-19 5.00430258570096e-19 5.27883555193686e-19 5.51930624293392e-19 5.73048914506146e-19 5.916037221044999e-19 6.07891449765744e-19 6.22150821808344e-19 6.3458211031155e-19 6.45351941645298e-19 6.5460130735338e-19 6.624519728599799e-19 6.690112839995759e-19 6.743705648403059e-19 6.786115263905041e-19 6.81807868775334e-19 6.840204747068879e-19 6.85311829073892e-19 6.85731599352e-19 6.852717746580419e-19 6.837449003258399e-19 6.80889821564052e-19 6.763748878094398e-19 6.69794748373602e-19 6.60630298027122e-19 6.48229450879962e-19 6.31760677259076e-19 6.10160131879488e-19 5.820595558957619e-19 5.4567732889089e-19 4.98682283862402e-19 4.37991832966482e-19 3.59494790960286e-19 2.5763320710046797e-19 1.248188524130772e-19 -4.9476015546237e-20 -2.8005246474003e-19 -5.88123794455452e-19 -1.004680106235648e-18 -1.576142865874134e-18 -2.3742014668592397e-18 -3.51259603061526e-18 -5.1769050744817796e-18 -7.67857571434206e-18 -1.155573101625768e-17 -1.77618903821874e-17 -2.7992909713921195e-17 -4.50777202505802e-17 -7.2365512027878e-17 ] } }