{ "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" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.638085 -8.199663 -3.8309653 ] [ -2.5270003 0.3249208 2.9359858 ] [ -3.1941642 8.7006969 -2.2465959 ] [ 6.0078688 -0.9991741 -2.9120507 ] [ 4.3513807 0.1732194 6.0536261 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.431031352283169e-09 -1.313730835703879e-08 -6.137883038756059e-09 ] [ -4.048700801414587e-09 5.205805093716326e-10 4.703967807760785e-09 ] [ -5.117615204236336e-09 1.394005315784704e-08 -3.599443427365135e-09 ] [ 9.625666932193751e-09 -1.600853383128881e-09 -4.665619550124275e-09 ] [ 6.971680425740338e-09 2.775280729490035e-10 9.698978208484682e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3336854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.01476826713823e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.888288 1.1657895 1.7590542 ] [ 1.3659683 2.8729095 3.5047796 ] [ 2.2186959 4.4025932 1.7250056 ] [ 3.9139125 2.591139 1.4430122 ] [ 3.8128391 2.6277188 3.9376265 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888288e-10 1.1657895e-10 1.7590542e-10 ] [ 1.3659683e-10 2.8729095e-10 3.5047796e-10 ] [ 2.2186959e-10 4.4025932e-10 1.7250056e-10 ] [ 3.9139125e-10 2.591139e-10 1.4430122e-10 ] [ 3.8128391e-10 2.6277188e-10 3.9376265e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.37e-05 1.26e-05 1.34e-05 ] [ 1.9e-06 1.36e-05 -5e-07 ] [ -2.96e-05 2.62e-05 -1.2e-05 ] [ -1.6e-06 -2.01e-05 3.7e-06 ] [ -4.5e-06 -3.23e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.399335212096e-14 2.018742542208e-14 2.146916671872e-14 ] [ 3.04413557952e-15 2.178960204288e-14 -8.010883104e-16 ] [ -4.742442797568e-14 4.197702746496e-14 -1.92261194496e-14 ] [ -2.56348259328e-15 -3.220375007808e-14 5.928053496960001e-15 ] [ -7.2097947936e-15 -5.175030485184e-14 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }