{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8970451 -1.1143235 -0.3191561 ] [ -3.4180487 6.0383984 -4.1598439 ] [ 5.1540795 1.5790022 3.7588569 ] [ -1.0292716 -3.0082551 -0.4017606 ] [ -2.5871541 -1.991055 -0.679194 ] [ -0.0688675 -1.1592498 4.9490399 ] [ -2.9477827 -0.3445173 -3.1479422 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.845931170223198e-09 -1.785343059708029e-09 -5.113444418057069e-10 ] [ -5.476317715895832e-09 9.674580743556128e-09 -6.664804642757494e-09 ] [ 8.257745676644554e-09 2.529840409031766e-09 6.022352646112764e-09 ] [ -1.649074893973409e-09 -4.819755990622366e-09 -6.436914404785805e-10 ] [ -4.145077813426865e-09 -3.190021771726944e-09 -1.088188747787635e-09 ] [ -1.10337898432944e-10 -1.857322927227076e-09 7.92923602318637e-09 ] [ -4.7228685251387e-09 -5.519775635211399e-10 -5.043559396469719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.431214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.914311988856165e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9869728 1.4317839 1.7409497 ] [ 1.308779 3.1624483 1.9291531 ] [ 2.4113696 2.3273118 3.9068939 ] [ 2.8800939 4.6212024 3.0369285 ] [ 4.6134656 2.8336262 2.8425412 ] [ 3.4407608 3.6526315 0.8986683 ] [ 4.0142812 3.7652909 4.976702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9869728e-10 1.4317839e-10 1.7409497e-10 ] [ 1.308779e-10 3.1624483e-10 1.9291531e-10 ] [ 2.4113696e-10 2.3273118e-10 3.9068939e-10 ] [ 2.8800939e-10 4.6212024e-10 3.0369285e-10 ] [ 4.6134656e-10 2.8336262e-10 2.8425412e-10 ] [ 3.4407608e-10 3.6526315e-10 8.986683e-11 ] [ 4.0142812e-10 3.7652909e-10 4.976702000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.14e-05 -8.86e-05 -1.66e-05 ] [ -4.79e-05 2.73e-05 3.53e-05 ] [ 9.84e-05 0.0001788 -8.98e-05 ] [ -8.7e-05 -4.61e-05 7.16e-05 ] [ 4.81e-05 -6.91e-05 -2.45e-05 ] [ 2.28e-05 4.1e-06 -1.29e-05 ] [ -4.58e-05 -6.5e-06 3.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.826481347712e-14 -1.4195284860288e-13 -2.659613190528e-14 ] [ -7.674426013632e-14 4.373942174784e-14 5.655683471424e-14 ] [ 1.5765417948672e-13 2.864691797990401e-13 -1.4387546054784e-13 ] [ -1.393893660096e-13 -7.386034221888001e-14 1.1471584604928e-13 ] [ 7.706469546047999e-14 -1.1071040449728e-13 -3.92533272096e-14 ] [ 3.652962695424e-14 6.568924145279999e-15 -2.066807840832e-14 ] [ -7.337968923264e-14 -1.04141480352e-14 5.912031730752001e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973336424062e-18 } }