{ "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" [ [ 2.966654 1.561504 1.979713 ] [ 1.215751 3.296566 1.975446 ] [ 1.823708 4.192867 4.123573 ] [ 5.205541 2.34853 2.95907 ] [ 3.135824 2.260061 4.318186 ] [ 3.662306 3.63962 2.333021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966654e-10 1.561504e-10 1.979713e-10 ] [ 1.215751e-10 3.296566e-10 1.975446e-10 ] [ 1.823708e-10 4.192867e-10 4.123573e-10 ] [ 5.205541e-10 2.34853e-10 2.95907e-10 ] [ 3.135824e-10 2.260061e-10 4.318186e-10 ] [ 3.662306e-10 3.63962e-10 2.333021e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.03953 -0.2668517 1.0023467 ] [ 1.371887 -0.4108013 0.7149859 ] [ 0.6672598 -0.6112782 -1.3562271 ] [ 1.1218161 -3.268836 1.4034374 ] [ 0.7422343 -0.1406737 -1.2406137 ] [ -3.9427271 4.6984409 -0.5239292 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.3334041820224e-11 -4.275435549607354e-10 1.605936448676031e-09 ] [ 2.198005277779449e-09 -6.581762386542469e-10 1.145533693181647e-09 ] [ 1.069068051559684e-09 -9.793756408447065e-10 -2.172915352115383e-09 ] [ 1.797347528257035e-09 -5.237252616429388e-09 2.248554591036338e-09 ] [ 1.189190442615853e-09 -2.25384113301433e-10 -1.987682265584185e-09 ] [ -6.316945181814583e-09 7.52773216419051e-09 -8.394271151944473e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.172605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.712660597403319e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0149044 1.5631763 2.0272388 ] [ 1.318856 3.1816798 2.0199794 ] [ 1.8597714 4.2076801 4.0477102 ] [ 5.1130056 2.1839959 2.9421782 ] [ 3.1627029 2.2795404 4.2396537 ] [ 3.5405438 3.8830754 2.4122486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0149044e-10 1.5631763e-10 2.0272388e-10 ] [ 1.318856e-10 3.1816798e-10 2.0199794e-10 ] [ 1.8597714e-10 4.2076801e-10 4.0477102e-10 ] [ 5.1130056e-10 2.1839959e-10 2.9421782e-10 ] [ 3.1627029e-10 2.2795404e-10 4.2396537e-10 ] [ 3.5405438e-10 3.8830754e-10 2.4122486e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 -1.67e-05 -1.96e-05 ] [ -1.3e-05 -3.8e-06 5.1e-06 ] [ -3.4e-06 1.45e-05 -1.22e-05 ] [ -1.42e-05 -8.2e-06 -3.5e-06 ] [ 1.25e-05 -1.1e-06 1.15e-05 ] [ 4.5e-06 1.52e-05 1.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.178960204288e-14 -2.675634956736e-14 -3.140266176767999e-14 ] [ -2.08282960704e-14 -6.08827115904e-15 8.17110076608e-15 ] [ -5.44740051072e-15 2.32315610016e-14 -1.954655477376e-14 ] [ -2.275090801536e-14 -1.313784829056e-14 -5.6076181728e-15 ] [ 2.002720776e-14 -1.76239428288e-15 1.84250311392e-14 ] [ 7.2097947936e-15 2.435308463616e-14 2.996070280896e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.45441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918028397745773e-18 } }