{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5188162 -1.5813091 -2.317174 ] [ -1.5425028 -1.373204 1.9388874 ] [ 0.907442 1.9768198 -0.367852 ] [ -0.7342538 2.8522556 2.1419377 ] [ 2.1407575 -3.0637168 -2.648092 ] [ 2.538145 1.0616064 1.2767176 ] [ -0.7907718 0.1275482 -0.0244248 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.035588427732297e-09 -2.533536470278289e-09 -3.712522009125619e-09 ] [ -2.471361923678539e-09 -2.200115344389043e-09 3.106440062643698e-09 ] [ 1.453882357131994e-09 3.167214467094532e-09 -5.893638743145216e-10 ] [ -1.176404272093559e-09 4.569817238865876e-09 3.431762506150125e-09 ] [ 3.429871617302256e-09 -4.90861542971219e-09 -4.242711092127514e-09 ] [ 4.066556579200416e-09 1.700880954571653e-09 2.045527090083886e-09 ] [ -1.266956090347934e-09 2.043547440651226e-10 -3.913284352771584e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -16.496411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.643016403130795e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7270395 1.8987783 2.319244 ] [ 1.6229214 1.7169192 4.7365515 ] [ 2.3074579 4.2385727 2.3588708 ] [ 2.2811644 4.3707994 4.7814798 ] [ 4.0333004 1.1626505 2.1566628 ] [ 4.37152 2.4451531 4.6726468 ] [ 4.6916644 3.8165628 2.2016654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7270395e-10 1.8987783e-10 2.319244e-10 ] [ 1.6229214e-10 1.7169192e-10 4.7365515e-10 ] [ 2.3074579e-10 4.2385727e-10 2.3588708e-10 ] [ 2.2811644e-10 4.3707994e-10 4.781479799999999e-10 ] [ 4.0333004e-10 1.1626505e-10 2.1566628e-10 ] [ 4.371520000000001e-10 2.4451531e-10 4.6726468e-10 ] [ 4.6916644e-10 3.8165628e-10 2.2016654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.41e-05 -2.44e-05 1.61e-05 ] [ -5.33e-05 -2.7e-06 1.16e-05 ] [ 1.91e-05 -3.5e-06 -2.4e-05 ] [ 1.39e-05 -1.9e-06 1.63e-05 ] [ 3.67e-05 3.61e-05 -1.17e-05 ] [ 1.63e-05 -1.06e-05 1.3e-05 ] [ 1.4e-06 7.1e-06 -2.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.463422276928e-14 -3.909310954752e-14 2.579504359488e-14 ] [ -8.539601388864e-14 -4.32587687616e-15 1.858524880128e-14 ] [ 3.060157345728e-14 -5.6076181728e-15 -3.84522388992e-14 ] [ 2.227025502912e-14 -3.04413557952e-15 2.611547891904e-14 ] [ 5.879988198335999e-14 5.783857601088001e-14 -1.874546646336e-14 ] [ 2.611547891904e-14 -1.698307218048e-14 2.08282960704e-14 ] [ 2.24304726912e-15 1.137545400768e-14 -3.412636202304e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.475174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.280484508961202e-18 } }