{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.44734 7.881337 7.530551 7.275686 7.075393 6.910375 6.770047 6.647973 6.539947 6.443066 6.355245 6.274932 6.200945 6.132359 6.068439 6.008591 5.952327 5.899241 5.848993 5.801296 5.755903 5.712602 5.671208 5.63156 5.591478 5.550173 5.507569 5.46358 5.418114 5.371068 5.322329 5.27177 5.21925 5.16461 5.107672 5.048235 4.986069 4.92091 4.852457 4.780359 4.704204 4.62351 4.537701 4.446084 4.347816 4.241854 4.126892 4.001256 3.862759 3.708467 3.534306 3.334391 3.099763 2.81578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.447340000000001e-10 7.881337000000001e-10 7.530551000000001e-10 7.275686000000001e-10 7.075393e-10 6.910375000000001e-10 6.770047e-10 6.647973000000001e-10 6.539947e-10 6.443066e-10 6.355245e-10 6.274932e-10 6.200945000000001e-10 6.132359000000001e-10 6.068438999999999e-10 6.008591000000001e-10 5.952327000000001e-10 5.899241e-10 5.848993e-10 5.801296e-10 5.755903000000001e-10 5.712602e-10 5.671208e-10 5.63156e-10 5.591478000000001e-10 5.550173e-10 5.507569e-10 5.46358e-10 5.418114e-10 5.371068e-10 5.322329e-10 5.27177e-10 5.21925e-10 5.16461e-10 5.107672e-10 5.048235e-10 4.986068999999999e-10 4.92091e-10 4.852457e-10 4.780359e-10 4.704204e-10 4.6235099999999997e-10 4.5377010000000006e-10 4.446084e-10 4.347816e-10 4.241854e-10 4.126892e-10 4.001256e-10 3.862759e-10 3.7084670000000005e-10 3.534306e-10 3.334391e-10 3.099763e-10 2.81578e-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" [ 0.851597 0.949436 1.0663 1.19709 1.33408 1.47165 1.60505 1.73026 1.84412 1.94495 2.03293 2.10928 2.17548 2.2329 2.28261 2.32537 2.36166 2.39186 2.41627 2.43528 2.44932 2.45883 2.46424 2.46596 2.46419 2.45863 2.44892 2.43469 2.41553 2.39097 2.36046 2.3235 2.27965 2.22849 2.16961 2.10246 2.0262 1.93958 1.84085 1.72763 1.5967 1.44316 1.25892 1.03055 0.736775 0.344084 -0.203111 -1.00543 -2.24964 -4.25647 -7.55317 -13.0722 -22.7257 -40.3792 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.364408814984498e-19 1.5211641746784238e-19 1.7084009448342e-19 1.9179496267950597e-19 2.1374318038867198e-19 2.3578432434261e-19 2.5715736064017e-19 2.7721821427448396e-19 2.95460597429208e-19 3.1161534442983e-19 3.2571129445576195e-19 3.3794391305635197e-19 3.4855032237343197e-19 3.5775002060585996e-19 3.6571444065347396e-19 3.72565347940458e-19 3.78379646945244e-19 3.8321822037992397e-19 3.8712913354351795e-19 3.9017487132475197e-19 3.92424327318888e-19 3.9394799729782196e-19 3.94814774856816e-19 3.9509034923786397e-19 3.9480676397364594e-19 3.9391595376514196e-19 3.92360240253528e-19 3.9008034290334595e-19 3.87010572472602e-19 3.8307562665949797e-19 3.7818738574916395e-19 3.722657409099e-19 3.6524019636981e-19 3.5704346071026594e-19 3.47609844689274e-19 3.36851228591964e-19 3.2463302958107996e-19 3.10754975577372e-19 2.9493668566989e-19 2.76796841819742e-19 2.5581954315078e-19 2.3121972311234397e-19 2.01701220807528e-19 1.6511231301687e-19 1.1804436895153499e-19 5.51283344933256e-20 -3.25419698308374e-20 -1.61087645312262e-19 -3.6043206429117597e-19 -6.81961677732198e-19 -1.2101512486629779e-18 -2.09439733949748e-18 -3.64105855312938e-18 -6.469461073961279e-18 ] } }