{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5117359 1.3589607 -0.8443989 ] [ 1.1296868 0.1135189 0.6642597 ] [ -2.8564821 -1.8253514 1.9475062 ] [ -1.9980722 -3.0920434 0.1108633 ] [ -0.688471 1.0855075 -0.541015 ] [ 4.5176783 1.9795733 -1.6825742 ] [ 0.4073961 0.3798344 0.345359 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.198912950040468e-10 2.177295062126002e-09 -1.352876176209237e-09 ] [ 1.809957779786366e-09 1.818773275989331e-10 1.064261361479622e-09 ] [ -4.576588838353688e-09 -2.924535337824549e-09 3.120248902503049e-09 ] [ -3.201264565510421e-09 -4.953999645978943e-09 1.776225873647366e-10 ] [ -1.103052140298797e-09 1.739174738203056e-09 -8.66801584502112e-10 ] [ 7.238118552555489e-09 3.171626060419905e-09 -2.695781046001264e-09 ] [ 6.527205068250988e-10 6.085617954555955e-10 5.533261155828673e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.536691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.251646591359378e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1730321 1.2058304 3.7178197 ] [ 1.2950083 2.558249 3.7727873 ] [ 2.2415702 4.6365045 3.3344838 ] [ 2.7933959 2.7349173 1.8730441 ] [ 3.2525239 3.2464131 4.9742212 ] [ 4.1922347 4.6691964 2.0751673 ] [ 4.8267199 2.774864 3.2587986 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1730321e-10 1.2058304e-10 3.7178197e-10 ] [ 1.2950083e-10 2.558249e-10 3.7727873e-10 ] [ 2.2415702e-10 4.6365045e-10 3.3344838e-10 ] [ 2.7933959e-10 2.7349173e-10 1.8730441e-10 ] [ 3.2525239e-10 3.2464131e-10 4.9742212e-10 ] [ 4.1922347e-10 4.6691964e-10 2.0751673e-10 ] [ 4.8267199e-10 2.774864e-10 3.2587986e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 3.74e-05 -4.85e-05 ] [ 4.27e-05 9.4e-06 8.8e-06 ] [ 4.57e-05 -2.06e-05 6.4e-06 ] [ -1.61e-05 -1.08e-05 -4.35e-05 ] [ -1.84e-05 1.08e-05 3.99e-05 ] [ -2.54e-05 -6.31e-05 1.17e-05 ] [ -3.9e-05 3.69e-05 2.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.68228545184e-14 5.992140561792e-14 -7.77055661088e-14 ] [ 6.841294170816001e-14 1.506046023552e-14 1.409915426304e-14 ] [ 7.321947157056e-14 -3.300483838848e-14 1.025393037312e-14 ] [ -2.579504359488e-14 -1.730350750464e-14 -6.969468300480001e-14 ] [ -2.948004982272e-14 1.730350750464e-14 6.392684716992e-14 ] [ -4.069528616832e-14 -1.0109734477248e-13 1.874546646336e-14 ] [ -6.248488821120001e-14 5.912031730752001e-14 4.053506850624e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497168915979e-18 } }