{ "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" [ [ -8.0468989 -0.6610379 4.8704097 ] [ 0.2589503 -0.5946923 0.1323585 ] [ -3.0769627 3.167202 -4.0055411 ] [ 6.7427701 -4.8535307 -3.2763729 ] [ 1.3355473 0.0840297 1.7268768 ] [ -0.8645822 1.2604895 -4.040255 ] [ 3.651176 1.5975397 4.5925239 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.289255328752124e-08 -1.059099468842728e-09 7.803256555057541e-09 ] [ 4.148841166091463e-10 -9.528020996297797e-10 2.120616942641568e-10 ] [ -4.929837701013645e-09 5.074416997751002e-09 -6.417584304073516e-09 ] [ 1.080310861364928e-08 -7.77621341587506e-09 -5.249328061402697e-09 ] [ 2.139782660032564e-09 1.346304207928377e-10 2.766761635961918e-09 ] [ -1.38521338759983e-09 2.019526807663882e-09 -6.473202103070304e-09 ] [ 5.849828825626061e-09 2.559540758139846e-09 7.358034423045238e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.594004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.017781877106168e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9145591 2.2778569 4.0385338 ] [ 1.6142492 3.7692324 2.7952577 ] [ 2.8839516 4.916259 1.2294356 ] [ 4.4857461 2.0449185 2.1467979 ] [ 4.6695112 3.2154993 5.3480585 ] [ 5.1342595 4.3105617 1.2290744 ] [ 6.0716424 3.52432 3.4362571 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9145591e-10 2.2778569e-10 4.0385338e-10 ] [ 1.6142492e-10 3.7692324e-10 2.7952577e-10 ] [ 2.8839516e-10 4.916259e-10 1.2294356e-10 ] [ 4.4857461e-10 2.0449185e-10 2.1467979e-10 ] [ 4.6695112e-10 3.2154993e-10 5.3480585e-10 ] [ 5.1342595e-10 4.3105617e-10 1.2290744e-10 ] [ 6.071642400000001e-10 3.52432e-10 3.436257100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.09e-05 -2e-06 -2.3e-06 ] [ 2.6e-06 9.3e-06 5.2e-06 ] [ 1.62e-05 7e-07 -1.38e-05 ] [ -1.03e-05 -4.5e-06 3.79e-05 ] [ 9.3e-06 -3.21e-05 -1.77e-05 ] [ -3e-06 8.5e-06 -2.18e-05 ] [ -3.57e-05 2.02e-05 1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.348549137472e-14 -3.2043532416e-15 -3.68500622784e-15 ] [ 4.16565921408e-15 1.490024257344e-14 8.33131842816e-15 ] [ 2.595526125696e-14 1.12152363456e-15 -2.211003736704e-14 ] [ -1.650241919424e-14 -7.2097947936e-15 6.072249392832e-14 ] [ 1.490024257344e-14 -5.142986952768e-14 -2.835852618816e-14 ] [ -4.8065298624e-15 1.36185012768e-14 -3.492745033344e-14 ] [ -5.719770536256001e-14 3.236396774016e-14 1.986699009792e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.344879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939173624520488e-18 } }