{ "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" [ [ 0.9398812 2.717033 1.670565 ] [ 2.278193 2.647912 4.038221 ] [ 1.856764 5.001969 2.684043 ] [ 3.35912 1.891848 2.112837 ] [ 5.060666 2.631323 3.812603 ] [ 4.070835 4.158298 1.920429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398812e-11 2.717033e-10 1.670565e-10 ] [ 2.278193e-10 2.647912e-10 4.038221e-10 ] [ 1.856764e-10 5.001969e-10 2.684043e-10 ] [ 3.35912e-10 1.891848e-10 2.112837e-10 ] [ 5.060666e-10 2.631323e-10 3.812603e-10 ] [ 4.070835e-10 4.158298e-10 1.920429e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3560807 0.7948708 2.9380635 ] [ 1.9497886 4.0185074 -3.5132735 ] [ 1.1499295 -5.1639415 1.3826839 ] [ 0.0278193 -0.5409978 -1.0693469 ] [ -5.3898302 0.6775466 -0.5791949 ] [ -0.0937879 0.2140145 0.8410679 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.774857414258099e-09 1.273523412316593e-09 4.707296650125821e-09 ] [ 3.123905710422363e-09 6.438358606791794e-09 -5.628884664176189e-09 ] [ 1.842390160468234e-09 -8.273546342478884e-09 2.215303818536565e-09 ] [ 4.457143206702144e-11 -8.667740270642342e-10 -1.713282602704955e-09 ] [ -8.635459936521788e-09 1.085549322022529e-09 -9.279725276665939e-10 ] [ -1.502647806939283e-10 3.428890284122016e-10 1.347539325885352e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.950179 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.555500389137513e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.080939 2.6895545 1.9236277 ] [ 2.2503115 2.7348579 4.0886003 ] [ 2.0328092 4.7583399 2.6808416 ] [ 3.3622035 1.8847371 1.864102 ] [ 4.6486718 2.7648346 3.7685786 ] [ 4.1905243 4.216059 1.9129477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.080939e-10 2.6895545e-10 1.9236277e-10 ] [ 2.2503115e-10 2.7348579e-10 4.088600300000001e-10 ] [ 2.0328092e-10 4.7583399e-10 2.6808416e-10 ] [ 3.3622035e-10 1.8847371e-10 1.864102e-10 ] [ 4.6486718e-10 2.7648346e-10 3.7685786e-10 ] [ 4.1905243e-10 4.216059e-10 1.9129477e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.16e-05 -1.12e-05 -6.4e-06 ] [ 3.31e-05 3.44e-05 -9.9e-06 ] [ -6e-06 -4.54e-05 -1.45e-05 ] [ -1.98e-05 4.42e-05 -7e-07 ] [ -2.9e-06 3.2e-06 -1.75e-05 ] [ 1.72e-05 -2.51e-05 4.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.460701500928e-14 -1.794437815296e-14 -1.025393037312e-14 ] [ 5.303204614848e-14 5.511487575552001e-14 -1.586154854592e-14 ] [ -9.6130597248e-15 -7.273881858432e-14 -2.32315610016e-14 ] [ -3.172309709184e-14 7.081620663936001e-14 -1.12152363456e-15 ] [ -4.646312200320001e-15 5.126965186560001e-15 -2.8038090864e-14 ] [ 2.755743787776e-14 -4.021463318208e-14 7.85066544192e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.800889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.85201681852559e-18 } }