{ "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" [ [ -1.341755479338708e-09 -6.855199838621812e-09 -4.836561421263023e-09 ] [ -1.345279338671061e-08 -4.301720269840294e-08 5.355987887094139e-09 ] [ -4.278711811743579e-08 -8.85506587279535e-09 -7.96211435522001e-09 ] [ 1.301256876038698e-08 4.543053108105877e-08 1.537942232476737e-08 ] [ 4.834804153930851e-09 1.266983177571236e-09 -1.81763638643434e-09 ] [ 2.631892913080354e-08 2.143644291850354e-08 -1.802099438743788e-10 ] [ 1.341536493836373e-08 -9.406488927531092e-09 -5.93888810506976e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0677567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.452814790753695e-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 -4.005441585e-15 1.45798073694e-14 ] [ -2.0828296242e-15 -1.8425031291e-14 1.1215236438e-15 ] [ 1.4419589706e-15 1.602176634e-16 2.8839179412e-15 ] [ -5.1269652288e-15 6.248488872599999e-15 -8.4915361602e-15 ] [ -3.845223921599999e-15 -4.3258769118e-15 -1.08948011112e-14 ] [ 8.331318496799998e-15 1.57013310132e-14 -4.005441585e-15 ] [ 1.2817413072e-15 4.9667475654e-15 4.6463122386e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.670425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.792420185184945e-18 } }