{ "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.52867 5.158229 4.928644 4.761838 4.630749 4.522747 4.430904 4.351009 4.280307 4.2169 4.159422 4.106858 4.058435 4.013546 3.971712 3.932542 3.895717 3.860973 3.828087 3.79687 3.767161 3.738821 3.711729 3.68578 3.668114 3.649522 3.629901 3.609129 3.587064 3.563534 3.538331 3.511198 3.481814 3.449773 3.414545 3.375427 3.331451 3.281236 3.222715 3.152586 3.065074 2.94862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.52867e-10 5.158229000000001e-10 4.928644e-10 4.761838e-10 4.630749e-10 4.522747e-10 4.430904e-10 4.3510090000000006e-10 4.280307e-10 4.2169e-10 4.1594220000000004e-10 4.106858e-10 4.0584350000000005e-10 4.013546e-10 3.971712e-10 3.9325420000000006e-10 3.895717e-10 3.860973e-10 3.828087e-10 3.7968700000000004e-10 3.767161e-10 3.7388210000000005e-10 3.711729e-10 3.68578e-10 3.6681140000000003e-10 3.6495220000000005e-10 3.629901e-10 3.609129e-10 3.587064e-10 3.563534e-10 3.538331e-10 3.511198e-10 3.481814e-10 3.449773e-10 3.414545e-10 3.3754270000000004e-10 3.331451e-10 3.281236e-10 3.2227150000000003e-10 3.152586e-10 3.065074e-10 2.94862e-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" [ 0.637293 0.968124 1.23501 1.46008 1.65421 1.82388 1.97337 2.10574 2.22326 2.32769 2.42044 2.50265 2.57525 2.63906 2.69473 2.74305 2.78439 2.81915 2.84772 2.87046 2.88769 2.89968 2.90671 2.909 2.90789 2.90423 2.89743 2.88675 2.87124 2.84966 2.82036 2.78115 2.72902 2.65974 2.56725 2.44254 2.27172 2.03224 1.68483 1.15734 0.296107 -1.28378 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0210559451994945e-19 1.5511056388353792e-19 1.978704148454208e-19 2.339306040497664e-19 2.650336587893568e-19 2.922177895144704e-19 3.1616872781880964e-19 3.373767397483392e-19 3.562055193959808e-19 3.7293704984699523e-19 3.8779723800491524e-19 4.0096873200451203e-19 4.1260053427152004e-19 4.2282402328884487e-19 4.317433405368384e-19 4.394850579685441e-19 4.461084561189312e-19 4.51677622052832e-19 4.562550406584576e-19 4.598983902941568e-19 4.626589406117953e-19 4.645799503801344e-19 4.657062805445568e-19 4.6607317899072e-19 4.658953373858113e-19 4.653089407425984e-19 4.642194606404544e-19 4.6250833600944e-19 4.600233600705792e-19 4.565658629228928e-19 4.518714854239488e-19 4.45589350893792e-19 4.372372041695616e-19 4.261373245406593e-19 4.1131879297488004e-19 3.9133804833688326e-19 3.6396966730037765e-19 3.256007415854592e-19 2.699395236022464e-19 1.8542630903166723e-19 4.7441571265522566e-20 -2.056842302250624e-19 ] } }