{ "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" [ 0.637358 0.968124 1.23501 1.46008 1.65421 1.82388 1.97166 2.10417 2.22188 2.32652 2.41948 2.50191 2.57474 2.63877 2.69468 2.74305 2.78439 2.81915 2.84772 2.87046 2.88769 2.89968 2.90671 2.909 2.90787 2.90408 2.89719 2.88649 2.87097 2.84938 2.82007 2.78085 2.72871 2.65942 2.56692 2.4422 2.27136 2.03185 1.6848 1.15734 0.296107 -1.28378 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0211600950929719e-19 1.5511056516146158e-19 1.9787041647563397e-19 2.33930605977072e-19 2.6503366097291397e-19 2.9221779192199195e-19 3.15894758219244e-19 3.3712520079637796e-19 3.55984421955192e-19 3.7274959825336795e-19 3.87643432243032e-19 4.00850174237094e-19 4.125188266625159e-19 4.22777563650018e-19 4.3173533321071196e-19 4.3948506158937e-19 4.46108459794326e-19 4.516776257741099e-19 4.562550444174479e-19 4.59898394083164e-19 4.626589444235459e-19 4.64579954207712e-19 4.657062843814139e-19 4.660731828306e-19 4.65892136870958e-19 4.65284911926672e-19 4.64181012225846e-19 4.624666832274659e-19 4.599801050914979e-19 4.56521005738692e-19 4.51825026024438e-19 4.4554128926589e-19 4.371875402962139e-19 4.2608605839922797e-19 4.1126592453472796e-19 3.9128357755548e-19 3.63911991940224e-19 3.2553825937929e-19 2.6993471929632e-19 1.85426310559356e-19 4.7441571656383795e-20 -2.0568423191965198e-19 ] } }