{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.463501 2.539158 2.160753 ] [ 0.2382428 1.617471 2.877509 ] [ 1.691566 0.7573037 1.355751 ] [ 1.857 2.738979 0.0220673 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.463501e-10 2.539158e-10 2.160753e-10 ] [ 2.382428e-11 1.617471e-10 2.877509e-10 ] [ 1.691566e-10 7.573037e-11 1.355751e-10 ] [ 1.857e-10 2.738979e-10 2.20673e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 21.8680512 25.1705043 -8.588218 ] [ -23.1960936 -17.0647133 13.4325463 ] [ 1.3500458 -7.5588883 -4.2246777 ] [ -0.0220034 -0.5469027 -0.6196506 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.503648066375565e-08 4.032759385545652e-08 -1.375984220729821e-08 ] [ -3.716423916599694e-08 -2.734068491516903e-08 2.152131181698315e-08 ] [ 2.163011835589837e-09 -1.211067421327598e-08 -6.768679897120861e-09 ] [ -3.52533333485556e-11 -8.762347270115117e-10 -9.927897125640804e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6363462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.030422182774691e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0656767 2.7905901 2.4230817 ] [ 0.0370296 1.7035321 2.1843568 ] [ 1.9899688 0.6737401 1.4917885 ] [ 1.1576346 2.4850494 0.3168533 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0656767e-10 2.790590100000001e-10 2.4230817e-10 ] [ 3.70296e-12 1.7035321e-10 2.1843568e-10 ] [ 1.9899688e-10 6.737401e-11 1.4917885e-10 ] [ 1.1576346e-10 2.4850494e-10 3.168533e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 -2.4e-06 -3.6e-06 ] [ 8.2e-06 1.1e-06 -4e-06 ] [ -4.8e-06 5.4e-06 -7e-07 ] [ 9e-07 -4e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.729141862799999e-15 -3.845223921599999e-15 -5.767835882399999e-15 ] [ 1.31378483988e-14 1.7623942974e-15 -6.408706535999999e-15 ] [ -7.690447843199998e-15 8.6517538236e-15 -1.1215236438e-15 ] [ 1.4419589706e-15 -6.408706535999999e-15 1.32980660622e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.70586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.516356190887524e-18 } }