{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.49383 5.125722 4.897584 4.731829 4.601566 4.494244 4.40298 4.323588 4.253331 4.190324 4.133208 4.080976 4.032857 3.988251 3.94668 3.907757 3.871165 3.83664 3.803961 3.77294 3.743418 3.715257 3.688335 3.66255 3.644996 3.626521 3.607023 3.586383 3.564457 3.541076 3.516031 3.489069 3.459871 3.428032 3.393026 3.354155 3.310456 3.260558 3.202406 3.132719 3.04576 2.93004 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.49383e-10 5.125722e-10 4.897584000000001e-10 4.731829e-10 4.6015660000000004e-10 4.4942440000000004e-10 4.4029800000000005e-10 4.323588e-10 4.253331e-10 4.1903240000000004e-10 4.1332079999999997e-10 4.080976e-10 4.032857e-10 3.988251e-10 3.9466800000000003e-10 3.9077570000000004e-10 3.871165e-10 3.8366400000000003e-10 3.8039610000000005e-10 3.7729400000000003e-10 3.7434180000000003e-10 3.715257e-10 3.688335e-10 3.66255e-10 3.644996e-10 3.626521e-10 3.607023e-10 3.5863830000000004e-10 3.564457e-10 3.541076e-10 3.516031e-10 3.4890690000000003e-10 3.459871e-10 3.4280320000000003e-10 3.393026e-10 3.3541550000000003e-10 3.310456e-10 3.260558e-10 3.202406e-10 3.132719e-10 3.04576e-10 2.93004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -4.29502e-08 8.14687 8.93242 10.0795 11.05 11.7452 12.2264 12.5676 12.8204 13.0156 13.1707 13.2955 13.3963 13.4777 13.5433 13.5959 13.6381 13.6717 13.6982 13.7186 13.7338 13.7442 13.7503 13.7523 13.7513 13.7482 13.7423 13.733 13.7198 13.7018 13.678 13.6478 13.6102 13.5645 13.51 13.4452 13.3673 13.269 13.136 12.8911 12.2155 10.4209 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -6.881380629868417e-27 1.3052724646696896e-18 1.4311314491166338e-18 1.61491392493536e-18 1.770405165984e-18 1.881788484662016e-18 1.9588852236549122e-18 2.013551489956608e-18 2.054054514930432e-18 2.085329002568448e-18 2.110178761957056e-18 2.1301739261846404e-18 2.146323866522304e-18 2.159365584215616e-18 2.169875862848064e-18 2.178303311873472e-18 2.185064497213248e-18 2.1904478106591362e-18 2.1946935787042562e-18 2.1979620190106883e-18 2.200397327474304e-18 2.202063591159936e-18 2.203040918898624e-18 2.2033613542227842e-18 2.203201136560704e-18 2.2027044618082564e-18 2.201759177601984e-18 2.20026915334464e-18 2.198154280205184e-18 2.1952703622877444e-18 2.19145718193024e-18 2.186618608535424e-18 2.1805944244412163e-18 2.1732724772841603e-18 2.1645406147008003e-18 2.1541585101980162e-18 2.141677554321984e-18 2.12592815813952e-18 2.10461920908288e-18 2.065381903639488e-18 1.95713885113824e-18 1.669612234769472e-18 ] } }