{ "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" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3795407 -5.667554 0.2999332 ] [ -2.7543804 -0.6751298 5.5413641 ] [ -2.6124035 0.5394186 -5.6480977 ] [ -1.8554907 3.8837375 0.5171593 ] [ 4.1932015 1.4650856 -3.71206 ] [ 4.4086138 0.4544421 3.0017011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.210267856982066e-09 -9.080422515921523e-09 4.805459608417306e-10 ] [ -4.413003881669752e-09 -1.08167718156538e-09 8.878244008360434e-09 ] [ -4.185531811796093e-09 8.642438697446669e-10 -9.049250086934253e-09 ] [ -2.972823819651827e-09 6.22243342382424e-09 8.285805396892935e-10 ] [ 6.718249409603491e-09 2.34732589579074e-09 -5.947375747006849e-09 ] [ 7.063377960496248e-09 7.280965081272557e-10 4.809255325049643e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7200258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397102146953282e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0146062 0.0111292 1.4130032 ] [ 0.8264062 1.558816 3.1958445 ] [ 0.7631636 1.6699425 -0.196705 ] [ -0.211741 2.7757233 1.558808 ] [ 3.0363841 1.6209906 0.1572599 ] [ 2.9682175 0.9647174 2.3579168 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0146062e-10 1.11292e-12 1.4130032e-10 ] [ 8.264062000000001e-11 1.558816e-10 3.1958445e-10 ] [ 7.631636000000001e-11 1.6699425e-10 -1.96705e-11 ] [ -2.11741e-11 2.7757233e-10 1.558808e-10 ] [ 3.0363841e-10 1.6209906e-10 1.572599e-11 ] [ 2.9682175e-10 9.647174e-11 2.3579168e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.08e-05 -5.5e-06 9e-06 ] [ 4.5e-06 -2.85e-05 -7.1e-06 ] [ 7.3e-06 -4.2e-06 -2.45e-05 ] [ 9.7e-06 2.78e-05 1.46e-05 ] [ -2.25e-05 -2.18e-05 3.23e-05 ] [ -1.98e-05 3.21e-05 -2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.332527371264e-14 -8.8119714144e-15 1.44195895872e-14 ] [ 7.2097947936e-15 -4.56620336928e-14 -1.137545400768e-14 ] [ 1.169588933184e-14 -6.72914180736e-15 -3.92533272096e-14 ] [ 1.554111322176e-14 4.454051005824e-14 2.339177866368e-14 ] [ -3.604897396800001e-14 -3.492745033344e-14 5.175030485184e-14 ] [ -3.172309709184e-14 5.142986952768e-14 -3.893289188544e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.48669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961894251397715e-18 } }