{ "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" [ "Au" "Au" ] } "a" { "source-value" [ 4.95897 4.626701 4.420773 4.271156 4.153575 4.056702 3.974323 3.90266 3.839244 3.782371 3.730816 3.683669 3.640235 3.599972 3.562448 3.527314 3.494284 3.463121 3.433623 3.405623 3.378975 3.353555 3.329255 3.30598 3.28245 3.258202 3.233191 3.207368 3.180678 3.15306 3.124448 3.094767 3.063935 3.031859 2.998434 2.963542 2.927047 2.888796 2.848611 2.806286 2.76158 2.714209 2.663835 2.610052 2.552364 2.49016 2.422672 2.348918 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.95897e-10 4.626701e-10 4.4207729999999995e-10 4.2711560000000007e-10 4.1535750000000003e-10 4.0567019999999997e-10 3.974323e-10 3.90266e-10 3.839244e-10 3.782371e-10 3.730816e-10 3.6836690000000004e-10 3.6402350000000003e-10 3.5999720000000004e-10 3.562448e-10 3.527314e-10 3.494284e-10 3.463121e-10 3.433623e-10 3.405623e-10 3.378975e-10 3.3535550000000003e-10 3.329255e-10 3.30598e-10 3.28245e-10 3.258202e-10 3.2331910000000005e-10 3.2073680000000004e-10 3.180678e-10 3.15306e-10 3.1244480000000004e-10 3.0947670000000003e-10 3.063935e-10 3.031859e-10 2.998434e-10 2.963542e-10 2.927047e-10 2.888796e-10 2.8486110000000003e-10 2.806286e-10 2.76158e-10 2.714209e-10 2.6638350000000004e-10 2.6100520000000003e-10 2.552364e-10 2.49016e-10 2.422672e-10 2.348918e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.417472 0.704298 0.961785 1.19501 1.40545 1.59529 1.76768 1.92511 2.06926 2.20104 2.32097 2.42952 2.52711 2.6142 2.69125 2.75874 2.81709 2.86671 2.90796 2.94114 2.96654 2.98441 2.99498 2.99846 2.99465 2.98222 2.95939 2.92403 2.87358 2.8049 2.71418 2.59671 2.44667 2.25679 2.01796 1.71863 1.34408 0.875372 0.28786 -0.450859 -1.38399 -2.56991 -4.08852 -6.05093 -8.61526 -12.0121 -16.5864 -22.8709 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.68863883749248e-20 1.128409798972932e-19 1.5409494539316898e-19 1.9146170993963398e-19 2.2517791502553e-19 2.55593636245386e-19 2.83213559238912e-19 3.08436625987974e-19 3.3153200216708397e-19 3.5264548584993596e-19 3.7186039022149796e-19 3.89252017583568e-19 4.0488765935477396e-19 4.1884101566027993e-19 4.3118578662525e-19 4.41998876728116e-19 4.513475773875059e-19 4.59297577845414e-19 4.65906556460664e-19 4.712225785322759e-19 4.75292107182636e-19 4.78155196827594e-19 4.79848697529732e-19 4.80406254998364e-19 4.7979582570081e-19 4.77804320144748e-19 4.74146550889326e-19 4.68481254311502e-19 4.603982731929719e-19 4.493945240706599e-19 4.348595776470119e-19 4.1603880872741395e-19 3.91999750510878e-19 3.61577620584486e-19 3.2331283603466396e-19 2.75354882849142e-19 2.1534535702267198e-19 1.402500564457848e-19 4.6120256586323997e-20 -7.22355755028606e-20 -2.21739643968966e-19 -4.11744975348294e-19 -6.550531211641679e-19 -9.69465865996962e-19 -1.3803168267834838e-18 -1.92455059452714e-18 -2.65743425221776e-18 -3.66432215785506e-18 ] } }