{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1858358 -5.8360966 -14.962234 ] [ -2.715093 -9.3666054 19.7261128 ] [ -27.2633733 1.3894188 -12.4051208 ] [ -11.9767816 2.8272906 -38.8666848 ] [ 20.1522686 -4.5946949 35.2482179 ] [ 6.4632817 2.4753389 -8.5896044 ] [ 20.5255334 13.1053486 19.8493132 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.308624878067665e-09 -9.35045752925037e-09 -2.397214150973887e-08 ] [ -4.350058527897735e-09 -1.500695618813903e-08 3.160471674742363e-08 ] [ -4.368073930540295e-08 2.226094317859991e-09 -1.987519452395979e-08 ] [ -1.918891947194762e-08 4.529818899527604e-09 -6.227129371456273e-08 ] [ 3.228749360700195e-08 -7.361512748488995e-09 5.647387064424407e-08 ] [ 1.035531883338448e-08 3.965930114136789e-09 -1.376206335160081e-08 ] [ 3.288552974292954e-08 2.099708313435401e-08 3.180210554797683e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.022327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.60575380054126e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9435111 1.5907789 2.678129 ] [ 3.0831223 1.9608784 4.928292 ] [ 1.2394026 4.039799 2.4788869 ] [ 4.2748457 2.0450151 1.7521233 ] [ 5.3512881 1.3827114 3.9512417 ] [ 3.8004475 4.5228377 2.0536532 ] [ 2.8808829 4.4579215 4.5046809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9435111e-10 1.5907789e-10 2.678129e-10 ] [ 3.0831223e-10 1.9608784e-10 4.928292e-10 ] [ 1.2394026e-10 4.039799000000001e-10 2.4788869e-10 ] [ 4.2748457e-10 2.0450151e-10 1.7521233e-10 ] [ 5.3512881e-10 1.3827114e-10 3.9512417e-10 ] [ 3.8004475e-10 4.522837700000001e-10 2.0536532e-10 ] [ 2.8808829e-10 4.4579215e-10 4.504680900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 1.77e-05 -1e-05 ] [ -1.7e-06 5.6e-06 4.15e-05 ] [ -4.73e-05 2.6e-06 -2.42e-05 ] [ -2.13e-05 1.84e-05 9e-06 ] [ 3.11e-05 -4.4e-06 -1.75e-05 ] [ 3.7e-05 -2.12e-05 1.64e-05 ] [ -1e-07 -1.87e-05 -1.51e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 2.835852618816e-14 -1.6021766208e-14 ] [ -2.72370025536e-15 8.972189076479999e-15 6.64903297632e-14 ] [ -7.578295416384e-14 4.16565921408e-15 -3.877267422336e-14 ] [ -3.412636202304e-14 2.948004982272e-14 1.44195895872e-14 ] [ 4.982769290688e-14 -7.04957713152e-15 -2.8038090864e-14 ] [ 5.92805349696e-14 -3.396614436096001e-14 2.627569658112e-14 ] [ -1.6021766208e-16 -2.996070280896e-14 -2.419286697408e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.314313 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.895582383941351e-18 } }