{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.29547 4.007658 3.829284 3.699686 3.597837 3.513925 3.442569 3.380495 3.325563 3.2763 3.231643 3.190804 3.153181 3.118306 3.085803 3.05537 3.026759 2.999765 2.974215 2.949961 2.926878 2.90486 2.883811 2.86365 2.849925 2.83548 2.820235 2.804097 2.786954 2.768672 2.749091 2.72801 2.70518 2.680286 2.652917 2.622524 2.588357 2.549343 2.503876 2.44939 2.381398 2.29092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29547e-10 4.007658e-10 3.829284e-10 3.699686e-10 3.597837e-10 3.513925e-10 3.4425690000000005e-10 3.380495e-10 3.325563e-10 3.2763000000000004e-10 3.231643e-10 3.190804e-10 3.153181e-10 3.1183060000000003e-10 3.085803e-10 3.05537e-10 3.026759e-10 2.999765e-10 2.974215e-10 2.949961e-10 2.926878e-10 2.90486e-10 2.8838110000000003e-10 2.8636499999999997e-10 2.849925e-10 2.83548e-10 2.820235e-10 2.804097e-10 2.786954e-10 2.7686720000000003e-10 2.749091e-10 2.72801e-10 2.70518e-10 2.680286e-10 2.652917e-10 2.622524e-10 2.588357e-10 2.549343e-10 2.503876e-10 2.4493900000000003e-10 2.381398e-10 2.29092e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.44403 1.9119 2.26268 2.54747 2.7876 2.99444 3.17495 3.3338 3.47429 3.59873 3.70907 3.80679 3.8931 3.96897 4.03525 4.09263 4.14171 4.18303 4.21703 4.24414 4.2647 4.27904 4.28746 4.29021 4.28887 4.28447 4.27628 4.26341 4.24467 4.21855 4.18301 4.13534 4.07179 3.98709 3.87362 3.72002 3.50863 3.21064 2.77592 2.10965 1.00983 -1.03845 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.313591105733824e-19 3.06320148130752e-19 3.625212996351744e-19 4.0814968761893766e-19 4.46622754814208e-19 4.797621760388352e-19 5.08683066220896e-19 5.34133641842304e-19 5.566426211879233e-19 5.765801070571585e-19 5.942585238910657e-19 6.099149938295232e-19 6.23743380243648e-19 6.358990942656577e-19 6.4651832090832e-19 6.557116103584704e-19 6.635750932133568e-19 6.701952870105023e-19 6.756426875212224e-19 6.7998618834021125e-19 6.832802634725761e-19 6.855777847468033e-19 6.869268174615169e-19 6.873674160322369e-19 6.871527243650496e-19 6.864477666518976e-19 6.851355839994624e-19 6.830735826884929e-19 6.800711037011137e-19 6.75886218367584e-19 6.701920826572609e-19 6.625545067059072e-19 6.523726742807232e-19 6.388022383025472e-19 6.206223401863296e-19 5.960129072908416e-19 5.621444957037505e-19 5.144012345805313e-19 4.447514125211136e-19 3.38003190807072e-19 1.6179260169824642e-19 -1.6637803118697604e-19 ] } }