{ "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" [ 1.021055953611762e-19 1.5511056516146158e-19 1.9787041647563397e-19 2.33930605977072e-19 2.6503366097291397e-19 2.9221779192199195e-19 3.16168730423658e-19 3.3737674252791598e-19 3.5620552233068397e-19 3.7293705291954596e-19 3.87797241199896e-19 4.0096873530800997e-19 4.1260053767085e-19 4.22824026772404e-19 4.3174334409388193e-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 4.65895341224226e-19 4.65308944576182e-19 4.64219464465062e-19 4.6250833981995e-19 4.600233638606159e-19 4.56565866684444e-19 4.51871489146824e-19 4.4558935456491e-19 4.372372077718679e-19 4.26137328051516e-19 4.1131879636364998e-19 3.91338051561036e-19 3.63969670299048e-19 3.2560074426801595e-19 2.69939525826222e-19 1.85426310559356e-19 4.7441571656383795e-20 -2.0568423191965198e-19 ] } }