{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8374579 -4.2786792 -3.0187442 ] [ -8.3965732 -26.8492261 3.3429447 ] [ -26.7056186 -5.5268974 -4.9695609 ] [ 8.1218066 28.3555072 9.5990804 ] [ 3.0176474 0.7907887 -1.1344794 ] [ 16.4269835 13.3795753 -0.1124782 ] [ 8.3732122 -5.8710686 -3.7067624 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.341755468284264e-09 -6.855199782143248e-09 -4.8365613814156e-09 ] [ -1.345279327587584e-08 -4.301720234399316e-08 5.35598784296727e-09 ] [ -4.278711776492163e-08 -8.855065799840308e-09 -7.962114289621807e-09 ] [ 1.301256865317914e-08 4.543053070676607e-08 1.537942219805951e-08 ] [ 4.834804114097906e-09 1.266983167132825e-09 -1.817636371459212e-09 ] [ 2.631892891396735e-08 2.143644274189315e-08 -1.802099423896666e-10 ] [ 1.341536482783733e-08 -9.406488850032986e-09 -5.938888056140499e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0677567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.452814778784256e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4622402 1.2353353 1.6391654 ] [ 2.3820681 2.5153836 4.0447285 ] [ 1.5440568 3.727201 1.6560413 ] [ 2.3351336 5.0848526 3.8881833 ] [ 4.7129756 1.949747 3.0418594 ] [ 3.5711804 5.555352 1.6651978 ] [ 4.1719362 3.1966931 0.8257297 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4622402e-10 1.2353353e-10 1.6391654e-10 ] [ 2.3820681e-10 2.5153836e-10 4.0447285e-10 ] [ 1.5440568e-10 3.727201e-10 1.6560413e-10 ] [ 2.3351336e-10 5.084852599999999e-10 3.8881833e-10 ] [ 4.7129756e-10 1.949747e-10 3.0418594e-10 ] [ 3.5711804e-10 5.555352e-10 1.6651978e-10 ] [ 4.1719362e-10 3.1966931e-10 8.257297e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -2.5e-06 9.1e-06 ] [ -1.3e-06 -1.15e-05 7e-07 ] [ 9e-07 1e-07 1.8e-06 ] [ -3.2e-06 3.9e-06 -5.3e-06 ] [ -2.4e-06 -2.7e-06 -6.8e-06 ] [ 5.2e-06 9.8e-06 -2.5e-06 ] [ 8e-07 3.1e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -4.005441552e-15 1.457980724928e-14 ] [ -2.08282960704e-15 -1.84250311392e-14 1.12152363456e-15 ] [ 1.44195895872e-15 1.6021766208e-16 2.88391791744e-15 ] [ -5.126965186560001e-15 6.24848882112e-15 -8.491536090240001e-15 ] [ -3.84522388992e-15 -4.32587687616e-15 -1.089480102144e-14 ] [ 8.33131842816e-15 1.570133088384e-14 -4.005441552e-15 ] [ 1.28174129664e-15 4.96674752448e-15 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.670425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.792420153939984e-18 } }