{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1701555 -5.7193409 -4.3289113 ] [ -8.3025563 6.463024 -2.3218261 ] [ -5.1861088 -8.0184441 8.0476577 ] [ 4.0631155 -0.8875472 -3.2409115 ] [ 1.8734201 1.2488836 1.7342883 ] [ 6.1908425 3.9891299 -11.0845798 ] [ 6.5314424 2.9242947 11.1942827 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.283502268000535e-09 -9.16339427636523e-09 -6.935680478376935e-09 ] [ -1.330216159673575e-08 1.03549059524693e-08 -3.719975494983243e-09 ] [ -8.309062272285143e-09 -1.28469636722117e-08 1.28937690191411e-08 ] [ 6.509828661710103e-09 -1.422007373696502e-09 -5.19251263538186e-09 ] [ 3.001549885156798e-09 2.000932106020539e-09 2.778636167986977e-09 ] [ 9.918823116555023e-09 6.391290663114242e-09 -1.775945460695194e-08 ] [ 1.046452431338184e-08 4.68523660066935e-09 1.79352180285659e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.784651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.009632866208734e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0491562 1.4205842 2.3340033 ] [ 2.4475064 2.0489805 4.7457933 ] [ 1.5366907 3.7607449 3.1285728 ] [ 4.3560239 2.0343311 1.6844539 ] [ 4.887192 2.085641 4.1001224 ] [ 3.6577346 4.396221 1.9171119 ] [ 3.6391961 4.2534394 4.4369495 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0491562e-10 1.4205842e-10 2.3340033e-10 ] [ 2.4475064e-10 2.0489805e-10 4.7457933e-10 ] [ 1.5366907e-10 3.7607449e-10 3.1285728e-10 ] [ 4.3560239e-10 2.0343311e-10 1.6844539e-10 ] [ 4.887192e-10 2.085641e-10 4.1001224e-10 ] [ 3.6577346e-10 4.396221e-10 1.9171119e-10 ] [ 3.6391961e-10 4.253439400000001e-10 4.4369495e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.7e-06 8.8e-06 -1.88e-05 ] [ 1.48e-05 5.58e-05 2e-05 ] [ 1.06e-05 -3.1e-05 -7.5e-06 ] [ -4.33e-05 6.9e-05 1.29e-05 ] [ 3.18e-05 -1.66e-05 5.3e-06 ] [ 2.99e-05 -4.7e-05 2.5e-06 ] [ -3.71e-05 -3.91e-05 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.073458335936e-14 1.409915426304e-14 -3.012092047104e-14 ] [ 2.371221398784e-14 8.940145544064e-14 3.2043532416e-14 ] [ 1.698307218048e-14 -4.96674752448e-14 -1.2016324656e-14 ] [ -6.937424768064e-14 1.105501868352e-13 2.066807840832e-14 ] [ 5.094921654144e-14 -2.659613190528e-14 8.491536090240001e-15 ] [ 4.790508096192e-14 -7.530230117759999e-14 4.005441552e-15 ] [ -5.944075263168e-14 -6.264510587328001e-14 -2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.483015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.082829086049572e-18 } }