{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -100.0798746 -111.2990179 194.291882 ] [ -34.6431692 -107.3826135 -32.9292404 ] [ -15.9218586 -0.2263818 28.0511502 ] [ 181.4196905 294.8490756 -184.0410524 ] [ -12.5878212 -37.8525876 25.7611778 ] [ -44.8317367 -54.5002172 -17.5787243 ] [ 26.6447698 16.4117423 -13.5551929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.603456366177701e-07 -1.783206858665277e-07 3.112899135162851e-07 ] [ -5.550447621994847e-08 -1.72045914247553e-07 -5.27584595442488e-08 ] [ -2.550962981877195e-08 -3.627036303228611e-10 4.494289740726442e-08 ] [ 2.906663890666117e-07 4.724002994828195e-07 -2.948662738520496e-07 ] [ -2.016791299960984e-08 -6.064653138915814e-08 4.127395713547952e-08 ] [ -7.182836100238025e-08 -8.73189745457649e-08 -2.816422132898801e-08 ] [ 4.268962759186885e-08 2.629451003628942e-08 -2.17178133337427e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 63.537859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.017988730641866e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.5198188 -0.0541851 2.5924683 ] [ 1.2077569 2.3267564 2.4465199 ] [ 1.5436304 2.7631244 5.0823861 ] [ 3.6654228 3.3530906 1.8824251 ] [ 2.8754783 0.4078929 5.383619 ] [ 4.9461551 1.2928502 3.5167822 ] [ 4.0210857 3.8151576 4.6735743 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5198188e-10 -5.41851e-12 2.5924683e-10 ] [ 1.2077569e-10 2.3267564e-10 2.446519900000001e-10 ] [ 1.5436304e-10 2.7631244e-10 5.0823861e-10 ] [ 3.6654228e-10 3.3530906e-10 1.8824251e-10 ] [ 2.8754783e-10 4.078929e-11 5.383619000000001e-10 ] [ 4.9461551e-10 1.2928502e-10 3.516782200000001e-10 ] [ 4.021085700000001e-10 3.8151576e-10 4.673574300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.12e-05 3.9e-06 9.1e-06 ] [ 1.91e-05 -2.5e-06 1.02e-05 ] [ -9.3e-06 1e-05 6.3e-06 ] [ 3.9e-06 -3.9e-06 -3.2e-06 ] [ -1.22e-05 -2.25e-05 -2.3e-06 ] [ 1.94e-05 1.27e-05 -1.17e-05 ] [ -9.7e-06 2.3e-06 -8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.79443783008e-14 6.248488872599999e-15 1.45798073694e-14 ] [ 3.06015737094e-14 -4.005441585e-15 1.63422016668e-14 ] [ -1.49002426962e-14 1.602176634e-14 1.00937127942e-14 ] [ 6.248488872599999e-15 -6.248488872599999e-15 -5.1269652288e-15 ] [ -1.95465549348e-14 -3.6048974265e-14 -3.685006258199999e-15 ] [ 3.10822266996e-14 2.03476432518e-14 -1.87454666178e-14 ] [ -1.55411133498e-14 3.685006258199999e-15 -1.34582837256e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337415029714e-18 } }