{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.60798 8.96421 8.565227 8.275344 8.047532 7.85984 7.700231 7.561385 7.438517 7.328325 7.228437 7.13709 7.052937 6.974928 6.902225 6.834154 6.770159 6.709779 6.652628 6.598378 6.546748 6.497497 6.450415 6.40532 6.37462 6.34231 6.308211 6.272114 6.233769 6.192878 6.149078 6.101925 6.050861 5.995179 5.93396 5.865979 5.789555 5.70229 5.600591 5.478719 5.326638 5.12426 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.60798e-10 8.96421e-10 8.565227000000001e-10 8.275344000000001e-10 8.047532e-10 7.85984e-10 7.700231e-10 7.561385e-10 7.438517e-10 7.328325000000001e-10 7.228437e-10 7.13709e-10 7.052937e-10 6.974928e-10 6.902225e-10 6.834154e-10 6.770158999999999e-10 6.709779e-10 6.652628e-10 6.598378000000001e-10 6.546748000000001e-10 6.497497000000001e-10 6.450414999999999e-10 6.40532e-10 6.37462e-10 6.342310000000001e-10 6.308211e-10 6.272114000000001e-10 6.233769e-10 6.192878000000001e-10 6.149078e-10 6.101925e-10 6.050861e-10 5.995179000000001e-10 5.93396e-10 5.865979000000001e-10 5.789555e-10 5.70229e-10 5.600591e-10 5.478719e-10 5.326638e-10 5.12426e-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" [ 0.266445 0.398533 0.506918 0.599945 0.681539 0.75398 0.818756 0.876913 0.929226 0.976296 1.0186 1.05651 1.09037 1.12043 1.14693 1.17007 1.19003 1.20696 1.22099 1.23224 1.24084 1.24687 1.25043 1.2516 1.25103 1.24914 1.24561 1.24004 1.23189 1.22047 1.20486 1.1838 1.15555 1.11763 1.06645 0.996578 0.899485 0.761075 0.55647 0.237763 -0.299381 -1.32892 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.26891949729056e-20 6.385202552172865e-20 8.121721682626944e-20 9.612178527658559e-20 1.0919458519634113e-19 1.2080091285507841e-19 1.311791721339725e-19 1.4049695070755905e-19 1.4887841726395008e-19 1.564198626180557e-19 1.63197710594688e-19 1.692715621641408e-19 1.746965322021696e-19 1.7951267512429442e-19 1.8375844316941442e-19 1.874658798699456e-19 1.906638244050624e-19 1.9337630942407682e-19 1.9562416322305922e-19 1.9742661192145922e-19 1.988044838153472e-19 1.997705963176896e-19 2.003409711946944e-19 2.0052842585932803e-19 2.0043710179194243e-19 2.001342904106112e-19 1.9956872206346884e-19 1.9867630968568321e-19 1.973705357397312e-19 1.955408500387776e-19 1.930398523337088e-19 1.89665668370304e-19 1.8513951941654402e-19 1.790640656704704e-19 1.70864125725216e-19 1.5966939724036225e-19 1.441133837760288e-19 1.21937657167536e-19 8.91563224176576e-20 3.8093831989127044e-20 -4.796612389117248e-20 -2.1291645549135362e-19 ] } }