{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0349858 0.0012311 1.7775489 ] [ 0.9415168 -0.8150756 -0.0566655 ] [ -0.7065929 1.3860488 -1.4639984 ] [ 2.4887271 -0.8082173 -1.0380074 ] [ 0.5627788 0.6022576 0.1134743 ] [ -1.2139449 -0.0170554 -1.3678183 ] [ 0.9625008 -0.3491892 2.0354664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.862583293219985e-09 1.97243963786688e-12 2.847947289908757e-09 ] [ 1.50847620505043e-09 -1.305895070504532e-09 -9.07881393059424e-11 ] [ -1.132086624803272e-09 2.220694982647895e-09 -2.345584009368607e-09 ] [ 3.987380375171384e-09 -1.2949068625861e-09 -1.663071188497394e-09 ] [ 9.016710360418792e-10 9.649230464191181e-10 1.818058705216454e-10 ] [ -1.944954137719394e-09 -2.732576313839232e-11 -2.1914865017624e-09 ] [ 1.542096279261297e-09 -5.594627724758554e-10 3.261176678503941e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.350488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.459419299147095e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8674293 2.3211825 4.0121318 ] [ 1.7949838 4.0262714 2.8808655 ] [ 3.2969126 3.8645695 1.1329186 ] [ 4.2035209 2.0460502 2.1786482 ] [ 4.6302274 3.4040265 5.0403541 ] [ 5.1018239 5.0986958 1.8788874 ] [ 5.879021 3.2978521 3.0996094 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8674293e-10 2.3211825e-10 4.0121318e-10 ] [ 1.7949838e-10 4.0262714e-10 2.8808655e-10 ] [ 3.296912600000001e-10 3.8645695e-10 1.1329186e-10 ] [ 4.2035209e-10 2.0460502e-10 2.1786482e-10 ] [ 4.6302274e-10 3.4040265e-10 5.0403541e-10 ] [ 5.101823900000001e-10 5.0986958e-10 1.8788874e-10 ] [ 5.879021000000001e-10 3.2978521e-10 3.0996094e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.47e-05 -7.3e-06 -3.6e-06 ] [ -9.4e-06 2.2e-05 -1.94e-05 ] [ -1.65e-05 -1.49e-05 1.66e-05 ] [ -1.76e-05 -1.8e-05 1.08e-05 ] [ 2.9e-06 -1.75e-05 -2.17e-05 ] [ 8.7e-06 1.99e-05 -3.8e-06 ] [ 1.74e-05 1.59e-05 2.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.355199632576e-14 -1.169588933184e-14 -5.76783583488e-15 ] [ -1.506046023552e-14 3.52478856576e-14 -3.108222644352e-14 ] [ -2.64359142432e-14 -2.387243164992e-14 2.659613190528e-14 ] [ -2.819830852608e-14 -2.88391791744e-14 1.730350750464e-14 ] [ 4.646312200320001e-15 -2.8038090864e-14 -3.476723267136e-14 ] [ 1.393893660096e-14 3.188331475392e-14 -6.08827115904e-15 ] [ 2.787787320192e-14 2.547460827072e-14 3.380592669888e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }