{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.046952 0.8888341 2.154791 ] [ 1.482397 2.148474 3.156267 ] [ 1.59563 3.780951 1.691413 ] [ 3.247494 1.676883 4.588179 ] [ 3.703607 3.217806 2.519536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.046952e-10 8.888341e-11 2.154791e-10 ] [ 1.482397e-10 2.148474e-10 3.156267e-10 ] [ 1.59563e-10 3.780951e-10 1.691413e-10 ] [ 3.247494e-10 1.676883e-10 4.588179e-10 ] [ 3.703607e-10 3.217806e-10 2.519536e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8029259 -7.8359114 -5.3428871 ] [ -12.1680806 -2.4845184 3.6828158 ] [ -2.4296861 4.9088221 -3.384896 ] [ 2.8219596 -0.9880246 7.4188865 ] [ 8.9728812 6.3996323 -2.3739192 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.490782346814798e-09 -1.25545140477402e-08 -8.560248799193911e-09 ] [ -1.949541425733004e-08 -3.980637294427423e-09 5.900521373472849e-09 ] [ -3.892786265302731e-09 7.86480000428636e-09 -5.423201235039437e-09 ] [ 4.52127769596212e-09 -1.582989914895272e-09 1.188636650266874e-08 ] [ 1.437614047985585e-08 1.025334125277653e-08 -3.80343784190824e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8711977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.406695691034732e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0112509 0.8439382 1.7607746 ] [ 1.1563999 1.6860919 3.2047126 ] [ 1.7484272 3.8272475 2.0647089 ] [ 3.0859699 2.3565831 4.6406281 ] [ 4.0740322 2.9990874 2.4393618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0112509e-10 8.439382e-11 1.7607746e-10 ] [ 1.1563999e-10 1.6860919e-10 3.2047126e-10 ] [ 1.7484272e-10 3.8272475e-10 2.0647089e-10 ] [ 3.0859699e-10 2.3565831e-10 4.6406281e-10 ] [ 4.0740322e-10 2.9990874e-10 2.4393618e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 -1.7e-06 -1.5e-06 ] [ -3e-06 -1.3e-06 1.1e-06 ] [ -9e-07 2.1e-06 -1.1e-06 ] [ 6e-07 0.0 2.4e-06 ] [ 2.2e-06 8e-07 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 -2.72370025536e-15 -2.4032649312e-15 ] [ -4.8065298624e-15 -2.08282960704e-15 1.76239428288e-15 ] [ -1.44195895872e-15 3.36457090368e-15 -1.76239428288e-15 ] [ 9.6130597248e-16 0.0 3.84522388992e-15 ] [ 3.52478856576e-15 1.28174129664e-15 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }