{ "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 2.837336 2.822954 2.807777 2.79171 2.774642 2.756442 2.736947 2.715959 2.69323 2.668446 2.641198 2.610939 2.576923 2.538081 2.492815 2.43857 2.370879 2.2808 ] "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 2.837336e-10 2.8229540000000003e-10 2.8077770000000003e-10 2.7917100000000004e-10 2.7746420000000004e-10 2.756442e-10 2.736947e-10 2.715959e-10 2.69323e-10 2.668446e-10 2.641198e-10 2.6109390000000003e-10 2.576923e-10 2.538081e-10 2.492815e-10 2.43857e-10 2.370879e-10 2.2808000000000003e-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 4.27872 4.27442 4.26629 4.25325 4.23386 4.20619 4.16762 4.11448 4.04157 3.94129 3.80225 3.60671 3.32588 2.91043 2.26973 1.22131 -0.653118 -4.52112 ] "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 6.855265207428479e-19 6.84837584790228e-19 6.835350151867859e-19 6.8144577685605e-19 6.78339156362724e-19 6.73905933616446e-19 6.67726338339108e-19 6.59212371706032e-19 6.475309018675379e-19 6.3146427458178595e-19 6.0918761066264995e-19 5.778586487614139e-19 5.32864722348792e-19 4.663022940892619e-19 3.6365083714888196e-19 1.9567543448705396e-19 -1.0464103988448118e-19 -7.24363282351008e-19 ] } }