{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.85762 4.532141 4.330422 4.183862 4.068684 3.97379 3.893095 3.822897 3.760776 3.705065 3.654564 3.60838 3.565834 3.526394 3.489637 3.455221 3.422866 3.392339 3.363445 3.336017 3.309913 3.285013 3.261209 3.23841 3.222889 3.206553 3.189314 3.171063 3.151677 3.131003 3.108859 3.085019 3.059202 3.031051 3.000099 2.965729 2.927091 2.882971 2.831554 2.769938 2.693049 2.59073 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.85762e-10 4.5321410000000004e-10 4.3304220000000007e-10 4.1838620000000007e-10 4.068684e-10 3.97379e-10 3.893095e-10 3.8228970000000004e-10 3.760776e-10 3.705065e-10 3.6545640000000004e-10 3.60838e-10 3.565834e-10 3.526394e-10 3.4896370000000004e-10 3.455221e-10 3.422866e-10 3.3923390000000003e-10 3.3634450000000004e-10 3.336017e-10 3.309913e-10 3.2850130000000006e-10 3.2612090000000004e-10 3.23841e-10 3.222889e-10 3.206553e-10 3.189314e-10 3.171063e-10 3.151677e-10 3.1310030000000003e-10 3.108859e-10 3.085019e-10 3.0592020000000003e-10 3.0310510000000004e-10 3.000099e-10 2.9657290000000004e-10 2.927091e-10 2.882971e-10 2.831554e-10 2.769938e-10 2.693049e-10 2.5907300000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.38145 1.79154 2.05164 2.24378 2.40211 2.54045 2.66358 2.77234 2.86482 2.94162 3.00552 3.05906 3.10436 3.14338 3.17756 3.20775 3.23417 3.25666 3.27482 3.28859 3.29831 3.30452 3.30784 3.30883 3.3084 3.30704 3.30462 3.30094 3.29558 3.28783 3.27664 3.26061 3.23836 3.20979 3.17878 3.15488 3.12157 2.72688 -1.09921 -33.4743 -334.153 -4227.03 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2133268928041603e-19 2.870363503228032e-19 3.287089642298112e-19 3.594931858218624e-19 3.8486044825898883e-19 4.07024959631136e-19 4.2675256036304645e-19 4.441778332908672e-19 4.589947626800256e-19 4.712994791277696e-19 4.815373877346817e-19 4.901154413624449e-19 4.973733014546688e-19 5.036249946290304e-19 5.091012343189248e-19 5.139382055371201e-19 5.181711561692736e-19 5.217744513894528e-19 5.246840041328256e-19 5.268902013396672e-19 5.284475170150848e-19 5.294424686966016e-19 5.299743913347073e-19 5.301330068201664e-19 5.30064113225472e-19 5.2984621720504325e-19 5.294584904628096e-19 5.288688894663553e-19 5.280101227976064e-19 5.267684359164864e-19 5.249756002778112e-19 5.224073111546688e-19 5.188424681733888e-19 5.142650495677632e-19 5.092966998666625e-19 5.054674977429504e-19 5.001306474190656e-19 4.368943383727105e-19 -1.761128563349568e-19 -5.363174085764544e-18 -5.3537212437018245e-17 -6.772448641420224e-16 ] } }