{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.3481555 -0.6098695 23.3976203 ] [ -2.7607556 0.6635491 0.8842945 ] [ 27.1073404 -66.6718904 9.0358801 ] [ 401.1516545 20.5760196 164.4194253 ] [ -400.1500838 46.0421912 -197.7372201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.061222212250294e-08 -9.771186546389854e-10 3.748712022701548e-08 ] [ -4.423218078062677e-09 1.063122854772881e-09 1.416795973802026e-09 ] [ 4.343074704094732e-08 -1.0682014406342e-07 1.447707584457197e-08 ] [ 6.427158022351391e-07 3.296641755224257e-08 2.63428959221032e-07 ] [ -6.411111090755208e-07 7.37677223110435e-08 -3.168099511062038e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 143.51957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.29943699681269e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0011467 0.2766572 3.1867937 ] [ -0.2259251 2.1166695 2.0565961 ] [ 3.1806867 -0.0031848 2.0292545 ] [ 3.3799812 1.826261 0.3617753 ] [ 1.1173335 2.8117189 0.0868798 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0011467e-10 2.766572e-11 3.1867937e-10 ] [ -2.259251e-11 2.1166695e-10 2.0565961e-10 ] [ 3.1806867e-10 -3.1848e-13 2.0292545e-10 ] [ 3.3799812e-10 1.826261e-10 3.617753e-11 ] [ 1.1173335e-10 2.8117189e-10 8.68798e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 1e-07 -1e-07 ] [ -3e-07 1e-07 1e-07 ] [ 2e-07 0.0 -1e-07 ] [ 2e-07 -1e-07 -1e-07 ] [ 0.0 -1e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 1.6021766208e-16 -1.6021766208e-16 ] [ -4.8065298624e-16 1.6021766208e-16 1.6021766208e-16 ] [ 3.2043532416e-16 0.0 -1.6021766208e-16 ] [ 3.2043532416e-16 -1.6021766208e-16 -1.6021766208e-16 ] [ 0.0 -1.6021766208e-16 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -15.382547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.464555717175718e-18 } }