{ "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" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.662611 0.4597428 -0.147676 ] [ -0.3909539 -0.3953808 -0.2820562 ] [ 0.752374 1.6956186 -0.5381307 ] [ 1.3234857 1.4176399 1.1427988 ] [ -0.4782565 -1.8046794 1.3888985 ] [ 0.4559617 -1.372941 -1.5638343 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.663796473684909e-09 7.365891657411302e-10 -2.366030346532608e-10 ] [ -6.263771983905812e-10 -6.334698740732006e-10 -4.519038493916889e-10 ] [ 1.205436032897779e-09 2.716680478713627e-09 -8.621804264747386e-10 ] [ 2.120457846503123e-09 2.27130950449325e-09 1.830965519638295e-09 ] [ -7.662513830456352e-10 -2.891415142719371e-09 2.225260705364189e-09 ] [ 7.305311757202235e-10 -2.199693971937773e-09 -2.505538754265133e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1730908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.149255837863557e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3436788 0.3066148 2.1147223 ] [ -0.1630756 2.6374971 2.5412908 ] [ 2.8882788 0.4500239 -0.0373004 ] [ 2.0239934 0.0807022 2.1477923 ] [ 3.0688838 2.7809044 0.3892557 ] [ 2.2100285 2.4816328 2.5871677 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.436788e-11 3.066148e-11 2.1147223e-10 ] [ -1.630756e-11 2.6374971e-10 2.5412908e-10 ] [ 2.8882788e-10 4.500239e-11 -3.73004e-12 ] [ 2.0239934e-10 8.07022e-12 2.1477923e-10 ] [ 3.0688838e-10 2.7809044e-10 3.892557e-11 ] [ 2.2100285e-10 2.4816328e-10 2.5871677e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 -3.7e-06 6.3e-06 ] [ 3.9e-06 8.5e-06 3e-07 ] [ 3.6e-06 -3.6e-05 -1.2e-05 ] [ 1.88e-05 2e-07 -1.41e-05 ] [ 3.1e-06 2.25e-05 6e-06 ] [ -1.32e-05 8.6e-06 1.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595526125696e-14 -5.928053496960001e-15 1.009371271104e-14 ] [ 6.24848882112e-15 1.36185012768e-14 4.8065298624e-16 ] [ 5.76783583488e-15 -5.76783583488e-14 -1.92261194496e-14 ] [ 3.012092047104e-14 3.2043532416e-16 -2.259069035328e-14 ] [ 4.96674752448e-15 3.604897396800001e-14 9.6130597248e-15 ] [ -2.114873139456e-14 1.377871893888e-14 2.16293843808e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5454487 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.529349474218575e-18 } }