{ "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" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4859691 1.0658163 -0.0140845 ] [ -4.542984 1.9960043 -6.0098797 ] [ -5.0461505 -0.5219218 5.9616945 ] [ 3.4956048 -11.3963264 -5.4426524 ] [ 5.6075605 8.8564275 5.5049221 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.786083304512173e-10 1.707625957927559e-09 -2.25658566156576e-11 ] [ -7.278662753468467e-09 3.19795142447627e-09 -9.628888749160517e-09 ] [ -8.084824356138231e-09 -8.362109058458534e-10 9.551687548251946e-09 ] [ 5.60057628611626e-09 -1.825892772108583e-08 -8.720090430421012e-09 ] [ 8.984302332821557e-09 1.418956108431019e-08 8.81985748794524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1192353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.201919114034074e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6231772 0.1832659 2.1322411 ] [ 0.6888702 3.791031 0.9028682 ] [ -0.5681804 2.2270224 2.1572776 ] [ 2.7337233 0.5915391 1.1447414 ] [ 2.8767856 2.9114509 0.7018173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.231772e-11 1.832659e-11 2.1322411e-10 ] [ 6.888702e-11 3.791031e-10 9.028682e-11 ] [ -5.681804e-11 2.2270224e-10 2.1572776e-10 ] [ 2.7337233e-10 5.915391e-11 1.1447414e-10 ] [ 2.8767856e-10 2.9114509e-10 7.018173e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -3e-07 -1.4e-06 ] [ -3e-07 -4e-07 -3e-07 ] [ 5e-07 3e-07 1.2e-06 ] [ 9e-07 8e-07 1e-06 ] [ 1e-07 -4e-07 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 -4.8065298624e-16 -2.24304726912e-15 ] [ -4.8065298624e-16 -6.408706483200001e-16 -4.8065298624e-16 ] [ 8.010883104e-16 4.8065298624e-16 1.92261194496e-15 ] [ 1.44195895872e-15 1.28174129664e-15 1.6021766208e-15 ] [ 1.6021766208e-16 -6.408706483200001e-16 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }