{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14685 7.60098 7.262672 7.016873 6.823705 6.664556 6.52922 6.411488 6.307305 6.21387 6.129173 6.051717 5.980361 5.914215 5.852569 5.79485 5.740587 5.689389 5.640929 5.594929 5.55115 5.509389 5.469467 5.43123 5.405199 5.377802 5.348888 5.31828 5.285766 5.251094 5.213955 5.173972 5.130674 5.083459 5.031549 4.973906 4.909104 4.835109 4.748876 4.645536 4.516583 4.34498 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146850000000001e-10 7.60098e-10 7.262672000000001e-10 7.016873000000001e-10 6.823705e-10 6.664556e-10 6.52922e-10 6.411488e-10 6.307305000000001e-10 6.21387e-10 6.129173e-10 6.051717e-10 5.980361e-10 5.914215000000001e-10 5.852569e-10 5.794850000000001e-10 5.740587e-10 5.689389000000001e-10 5.640929e-10 5.594929e-10 5.55115e-10 5.509389e-10 5.469467e-10 5.43123e-10 5.405199e-10 5.377802e-10 5.348888e-10 5.31828e-10 5.285766e-10 5.251094000000001e-10 5.213955000000001e-10 5.173972e-10 5.130674e-10 5.083459e-10 5.031549e-10 4.973906000000001e-10 4.909104e-10 4.835109e-10 4.748876000000001e-10 4.645536e-10 4.516583e-10 4.34498e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.124923 1.07177 2.25054 3.10829 3.46872 3.65398 3.80156 3.93131 4.0455 4.14593 4.23403 4.31101 4.37784 4.43537 4.48432 4.52531 4.55888 4.58551 4.60562 4.61959 4.62775 4.63041 4.62913 4.6249 4.61706 4.60478 4.58696 4.5622 4.52865 4.48383 4.42433 4.34542 4.24026 4.09874 3.90523 3.63445 3.24276 2.64839 1.67888 -0.238079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.00148711649182e-20 1.7171648510221797e-19 3.6057626018823597e-19 4.98002960969586e-19 5.557502133888479e-19 5.854321377103319e-19 6.0907706047490395e-19 6.29865302301054e-19 6.481605572846999e-19 6.64251217219962e-19 6.783663933655019e-19 6.906999490940339e-19 7.014072955390559e-19 7.106246177144579e-19 7.18467272337888e-19 7.250345943606539e-19 7.30413101320992e-19 7.34679697697334e-19 7.379016749083079e-19 7.401399156660059e-19 7.4144729179935e-19 7.41873470783994e-19 7.41668392174842e-19 7.4099067145866e-19 7.39734564977604e-19 7.37767092071052e-19 7.34912013309264e-19 7.309450239634799e-19 7.255697213564099e-19 7.18388765682822e-19 7.0885581471052205e-19 6.962130388916279e-19 6.79364549408484e-19 6.56690545684116e-19 6.25686825639582e-19 5.8230308674413e-19 5.1954743016698395e-19 4.24318857571926e-19 2.6898623072899196e-19 -3.81444610846086e-20 ] } }