{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.04948 5.644143 5.392932 5.210413 5.066975 4.948799 4.848305 4.760883 4.683521 4.614141 4.551249 4.493734 4.440749 4.391632 4.345856 4.302997 4.262703 4.224687 4.188702 4.154545 4.122037 4.091027 4.061383 4.03299 4.01366 3.993317 3.971847 3.949119 3.924975 3.899229 3.871651 3.841962 3.809811 3.774751 3.736205 3.693402 3.645283 3.590338 3.526305 3.449569 3.353814 3.22639 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.04948e-10 5.644142999999999e-10 5.392932e-10 5.210413e-10 5.066975e-10 4.948799e-10 4.848305e-10 4.760883e-10 4.683521e-10 4.6141410000000003e-10 4.5512490000000004e-10 4.493734e-10 4.4407490000000006e-10 4.3916320000000005e-10 4.3458560000000004e-10 4.3029970000000006e-10 4.262703e-10 4.2246870000000004e-10 4.1887020000000003e-10 4.154545e-10 4.1220369999999997e-10 4.0910270000000005e-10 4.0613830000000003e-10 4.03299e-10 4.01366e-10 3.993317e-10 3.971847e-10 3.949119e-10 3.924975e-10 3.8992290000000003e-10 3.871651e-10 3.841962e-10 3.809811e-10 3.774751e-10 3.736205e-10 3.693402e-10 3.645283e-10 3.590338e-10 3.526305e-10 3.449569e-10 3.353814e-10 3.22639e-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" [ 0.957418 1.29426 1.546 1.74864 1.9178 2.06202 2.18662 2.29518 2.39029 2.47382 2.54742 2.61211 2.66881 2.71831 2.76125 2.79817 2.82961 2.85595 2.8775 2.89459 2.90751 2.91647 2.92171 2.92342 2.92263 2.91997 2.91501 2.9072 2.89585 2.8801 2.85876 2.83023 2.79236 2.74222 2.67539 2.58545 2.46247 2.29043 2.04157 1.66383 1.04743 -0.0846485 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5339527359330944e-19 2.0736331132366082e-19 2.4769650557568e-19 2.801630126195712e-19 3.0726543233702403e-19 3.303720235622016e-19 3.5033514425736963e-19 3.6772837365277444e-19 3.829666754932032e-19 3.963496568067456e-19 4.081416767358336e-19 4.1850615729578883e-19 4.2759049873572484e-19 4.355212730086848e-19 4.424010194184e-19 4.483162555023936e-19 4.533534987981888e-19 4.575736320173761e-19 4.610263226352e-19 4.637644424801472e-19 4.658344546742208e-19 4.672700049264577e-19 4.681095454757568e-19 4.683835176779137e-19 4.682569457248704e-19 4.678307667437376e-19 4.670360871398209e-19 4.65784787198976e-19 4.63966316734368e-19 4.61442888556608e-19 4.580238436478209e-19 4.534528337486784e-19 4.473853908857089e-19 4.393520773090176e-19 4.2864473095221123e-19 4.14234754424736e-19 3.9453118634213765e-19 3.6696733975789443e-19 3.2709557237266566e-19 2.665749526985664e-19 1.6781678579245443e-19 -1.3562184768578882e-20 ] } }