{ "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" [ "Pt" "Pt" ] } "a" { "source-value" [ 4.29689 4.008982 3.830548 3.700906 3.599023 3.515083 3.443703 3.381608 3.326658 3.277378 3.232706 3.191853 3.154219 3.119331 3.086817 3.056374 3.027754 3.000751 2.975192 2.95093 2.92784 2.905814 2.884758 2.86459 2.85086 2.836411 2.821161 2.805017 2.787868 2.769581 2.749993 2.728905 2.706068 2.681166 2.653787 2.623384 2.589206 2.550179 2.504696 2.450192 2.382178 2.29167 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2968900000000003e-10 4.008982e-10 3.830548e-10 3.700906e-10 3.599023e-10 3.5150830000000004e-10 3.443703e-10 3.381608e-10 3.326658e-10 3.277378e-10 3.232706e-10 3.191853e-10 3.154219e-10 3.119331e-10 3.086817e-10 3.056374e-10 3.027754e-10 3.0007510000000005e-10 2.975192e-10 2.9509300000000004e-10 2.9278400000000003e-10 2.9058140000000003e-10 2.8847580000000003e-10 2.8645900000000005e-10 2.85086e-10 2.836411e-10 2.821161e-10 2.805017e-10 2.787868e-10 2.769581e-10 2.749993e-10 2.7289050000000003e-10 2.706068e-10 2.681166e-10 2.653787e-10 2.623384e-10 2.589206e-10 2.550179e-10 2.504696e-10 2.450192e-10 2.382178e-10 2.29167e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.795679 1.14625 1.42887 1.67049 1.88278 2.07209 2.24236 2.39622 2.53557 2.66182 2.77606 2.87915 2.97181 3.05463 3.1281 3.19265 3.24864 3.29639 3.33619 3.3683 3.39294 3.41032 3.42062 3.42402 3.42235 3.41681 3.40644 3.39 3.36587 3.33192 3.28529 3.22207 3.13683 3.02179 2.86554 2.65077 2.35008 1.91776 1.27248 0.25608 -1.47956 -4.85929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2748182914615233e-19 1.836494951592e-19 2.2893021081624963e-19 2.6764200232801923e-19 3.016546098109824e-19 3.3198541541934726e-19 3.5926567674170885e-19 3.839167662293376e-19 4.062430974401856e-19 4.2647057727778563e-19 4.447738429938048e-19 4.61290681777632e-19 4.761364503459648e-19 4.894056771194304e-19 5.01176868752448e-19 5.11518918839712e-19 5.204895057395713e-19 5.281398991038913e-19 5.345165620546752e-19 5.396611511840641e-19 5.436089143777153e-19 5.463934973446656e-19 5.480437392640897e-19 5.485884793151616e-19 5.48320915819488e-19 5.474333099715648e-19 5.4577185281579525e-19 5.431378744512e-19 5.392718222652097e-19 5.3383243263759365e-19 5.263614830548032e-19 5.162325224581056e-19 5.025755689424064e-19 4.841441290967232e-19 4.591101193967233e-19 4.2470017211180164e-19 3.7652432330096647e-19 3.0725902363054083e-19 2.0387377064355843e-19 4.1028538905446397e-20 -2.370516441070848e-19 -7.785440831687232e-19 ] } }