{ "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" [ [ 1.98485 2.119324 1.827991 ] [ 0.9744942 2.30107 3.805126 ] [ 2.339547 3.991011 2.574302 ] [ 4.37234 1.986188 1.289197 ] [ 3.548577 1.396458 3.420144 ] [ 4.317537 3.428201 2.979668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.98485e-10 2.119324e-10 1.827991e-10 ] [ 9.744942e-11 2.30107e-10 3.805126e-10 ] [ 2.339547e-10 3.991011e-10 2.574302e-10 ] [ 4.37234e-10 1.986188e-10 1.289197e-10 ] [ 3.548577e-10 1.396458e-10 3.420144e-10 ] [ 4.317537e-10 3.428201e-10 2.979668e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.7858305 -20.1019165 -19.8254148 ] [ -5.7437749 -0.38967 9.3873994 ] [ -10.0934963 27.5695015 4.0035113 ] [ 8.3188043 -3.878842 -19.5031444 ] [ -3.1561356 -15.5420319 16.9216808 ] [ 18.460433 12.3429588 9.0159677 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.247427560061157e-08 -3.220682064957377e-08 -3.176381609022231e-08 ] [ -9.20254185991786e-09 -6.24320163827136e-10 1.504027184879194e-08 ] [ -1.61715637939913e-08 4.417121075041054e-08 6.414332205968616e-09 ] [ 1.332819376247051e-08 -6.214589968177114e-09 -3.124748198976644e-08 ] [ -5.056686670394581e-09 -2.49010801499078e-08 2.711152136240025e-08 ] [ 2.957687416244481e-08 1.977560002085762e-08 1.444517266282795e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.194505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.720337846828705e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8953696 1.9895296 1.3881336 ] [ 1.1077766 2.2829108 3.9873108 ] [ 2.100397 4.3046086 2.6565813 ] [ 4.4769614 1.8135219 1.1625837 ] [ 3.4556483 1.2316343 3.6284327 ] [ 4.5011922 3.6000467 3.0733858 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8953696e-10 1.9895296e-10 1.3881336e-10 ] [ 1.1077766e-10 2.2829108e-10 3.9873108e-10 ] [ 2.100397e-10 4.3046086e-10 2.6565813e-10 ] [ 4.4769614e-10 1.8135219e-10 1.1625837e-10 ] [ 3.4556483e-10 1.2316343e-10 3.6284327e-10 ] [ 4.5011922e-10 3.6000467e-10 3.0733858e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.1e-06 -3.4e-06 -1e-05 ] [ -1.2e-05 -3.73e-05 6.8e-06 ] [ -1.1e-05 2.69e-05 2.6e-06 ] [ 6.1e-06 -2.9e-06 4.7e-06 ] [ -7.9e-06 4.03e-05 5.3e-06 ] [ 3.28e-05 -2.36e-05 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.297763062848e-14 -5.44740051072e-15 -1.6021766208e-14 ] [ -1.92261194496e-14 -5.976118795584e-14 1.089480102144e-14 ] [ -1.76239428288e-14 4.309855109952001e-14 4.16565921408e-15 ] [ 9.77327738688e-15 -4.646312200320001e-15 7.53023011776e-15 ] [ -1.265719530432e-14 6.456771781824e-14 8.491536090240001e-15 ] [ 5.255139316223999e-14 -3.781136825088e-14 -1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.865808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182853313090161e-18 } }