{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.98485 2.119324 1.827991 ] [ 0.9744942 2.30107 3.805126 ] [ 2.339547 3.991011 2.574302 ] [ 4.37234 1.986188 1.289197 ] [ 3.548577 1.396458 3.420144 ] [ 4.317537 3.428201 2.979668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.98485e-10 2.119324e-10 1.827991e-10 ] [ 9.744942e-11 2.30107e-10 3.805126e-10 ] [ 2.339547e-10 3.991011e-10 2.574302e-10 ] [ 4.37234e-10 1.986188e-10 1.289197e-10 ] [ 3.548577e-10 1.396458e-10 3.420144e-10 ] [ 4.317537e-10 3.428201e-10 2.979668e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1076653 -3.1128683 -2.8382565 ] [ 0.4727749 0.0131777 0.6297313 ] [ -2.5231833 4.2067921 0.7789642 ] [ 0.2684192 -0.8842315 -1.1005794 ] [ -0.5919422 -1.9046678 1.2226863 ] [ 3.4815967 1.6817979 1.307454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.774675447331418e-09 -4.987364813889441e-09 -4.547388208133635e-09 ] [ 7.57468891681058e-10 2.111300285591616e-11 1.008940766245991e-09 ] [ -4.042585293252993e-09 6.740023951186137e-09 1.248038229680175e-09 ] [ 4.300549668138394e-10 -1.416695036674915e-09 -1.763322584014092e-09 ] [ -9.483959537049177e-10 -3.05161421955057e-09 1.958959404432455e-09 ] [ 5.578132835794431e-09 2.694537276290537e-09 2.094772231571443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.60845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.660967029772576e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.813974 2.3221981 1.2500572 ] [ 1.4639997 2.0680478 3.5905305 ] [ 2.1648052 4.1665494 2.7129932 ] [ 4.0312412 1.6917656 1.5131353 ] [ 3.681261 1.4375939 3.8536109 ] [ 4.3820641 3.5360972 2.9761009 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.813974e-10 2.3221981e-10 1.2500572e-10 ] [ 1.4639997e-10 2.0680478e-10 3.5905305e-10 ] [ 2.1648052e-10 4.1665494e-10 2.7129932e-10 ] [ 4.031241200000001e-10 1.6917656e-10 1.5131353e-10 ] [ 3.681261e-10 1.4375939e-10 3.8536109e-10 ] [ 4.3820641e-10 3.5360972e-10 2.9761009e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.36e-05 1.18e-05 -3.2e-05 ] [ -1.13e-05 -7.9e-06 -1.6e-06 ] [ -1.27e-05 9.6e-06 1.78e-05 ] [ 2.9e-06 -1.82e-05 1.43e-05 ] [ 1.03e-05 -2.91e-05 2.51e-05 ] [ 2.45e-05 3.38e-05 -2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.178960204288e-14 1.890568412544e-14 -5.12696518656e-14 ] [ -1.810459581504e-14 -1.265719530432e-14 -2.56348259328e-15 ] [ -2.034764308416e-14 1.538089555968e-14 2.851874385024e-14 ] [ 4.646312200320001e-15 -2.915961449856e-14 2.291112567744e-14 ] [ 1.650241919424e-14 -4.662333966527999e-14 4.021463318208e-14 ] [ 3.92533272096e-14 5.415356978304e-14 -3.797158591296e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }