{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.40849 5.046101 4.821507 4.658327 4.530088 4.424433 4.334587 4.256428 4.187263 4.125235 4.069006 4.017585 3.970214 3.926301 3.885376 3.847058 3.811034 3.777045 3.744874 3.714335 3.685272 3.657548 3.631045 3.60566 3.579997 3.553551 3.526273 3.498109 3.468999 3.438878 3.407672 3.375301 3.341675 3.306691 3.270236 3.232181 3.192378 3.15066 3.106832 3.06067 3.011912 2.960247 2.905306 2.846648 2.783731 2.715888 2.642282 2.561842 2.473169 2.374381 2.262873 2.134876 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.408489999999999e-10 5.046101e-10 4.821507000000001e-10 4.658327e-10 4.5300880000000005e-10 4.424433e-10 4.334587e-10 4.256428e-10 4.1872629999999997e-10 4.125235e-10 4.069006e-10 4.0175850000000006e-10 3.970214e-10 3.926301e-10 3.885376e-10 3.847058e-10 3.811034e-10 3.7770450000000004e-10 3.744874e-10 3.714335e-10 3.685272e-10 3.657548e-10 3.631045e-10 3.60566e-10 3.579997e-10 3.5535510000000004e-10 3.526273e-10 3.498109e-10 3.4689990000000003e-10 3.438878e-10 3.407672e-10 3.375301e-10 3.341675e-10 3.306691e-10 3.2702360000000003e-10 3.232181e-10 3.1923780000000005e-10 3.15066e-10 3.106832e-10 3.0606700000000004e-10 3.0119120000000004e-10 2.960247e-10 2.905306e-10 2.846648e-10 2.783731e-10 2.715888e-10 2.6422819999999997e-10 2.561842e-10 2.473169e-10 2.374381e-10 2.262873e-10 2.1348760000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.03967 1.60644 2.04742 2.39145 2.66796 2.90242 3.11808 3.3196 3.49841 3.64772 3.76747 3.86147 3.93438 3.99065 4.03423 4.06845 4.09589 4.11842 4.13716 4.15264 4.16494 4.17393 4.17942 4.18127 4.17921 4.1725 4.16039 4.14231 4.11772 4.08614 4.04717 4.00026 3.94428 3.87697 3.79484 3.69351 3.56925 3.42165 3.24439 2.96713 2.33565 0.761059 -2.58828 -8.44021 -16.2758 -20.5384 1.23087 125.4 603.838 2294.55 8340.88 31784.6 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.66573498107078e-19 2.57380063192296e-19 3.2803284839842794e-19 3.8315253113792997e-19 4.2745431724466396e-19 4.65018950605428e-19 4.99571491894272e-19 5.3185855542264e-19 5.6050707581519395e-19 5.844291751374479e-19 6.03615240329598e-19 6.18675700689198e-19 6.303571705276919e-19 6.3937261844721e-19 6.463549042181819e-19 6.5183755265973e-19 6.562339253434259e-19 6.59843629299828e-19 6.628461083119439e-19 6.653262777413759e-19 6.672969550011959e-19 6.687373117951621e-19 6.69616906767228e-19 6.699133094445179e-19 6.6958326105791405e-19 6.685082005365e-19 6.665679646327258e-19 6.63671229278454e-19 6.59731476935448e-19 6.546718031252761e-19 6.48428120782578e-19 6.40912310192484e-19 6.31943325395352e-19 6.21159074471898e-19 6.08000397776856e-19 5.91765541944534e-19 5.718568950904499e-19 5.4820876797261e-19 5.19808584958326e-19 4.75386635604042e-19 3.7421238552020996e-19 1.219350946895406e-19 -4.14688173824952e-19 -1.352270724805314e-18 -2.60767064596572e-18 -3.2906144579745595e-18 1.9720711534915798e-19 2.009129499036e-17 9.674551343212919e-17 3.6762743955447e-16 1.3363563042997918e-15 5.0924543441036396e-15 ] } }