{ "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" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.153391 -8.5069662 -15.7767917 ] [ 1.9412237 -1.1790749 0.991301 ] [ 25.2073797 -11.4139687 -0.0021107 ] [ -19.7012648 16.7747653 17.9226969 ] [ 3.7060525 4.3252446 -3.1350955 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.786970230284113e-08 -1.362966235957582e-08 -2.527720681297149e-08 ] [ 3.110183227882873e-09 -1.889086238952098e-09 1.588239286375661e-09 ] [ 4.038667442696852e-08 -1.828719380168297e-08 -3.38171419352256e-12 ] [ -3.156490586274999e-08 2.68761367830671e-08 2.871532595486463e-08 ] [ 5.937750670957392e-09 6.929805777361449e-09 -5.022976714075286e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.0430919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.477747317925853e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8196562 0.0436204 1.5375498 ] [ 1.4280401 2.3374882 1.0732603 ] [ 3.0638286 0.7897254 2.0420725 ] [ 1.1650997 1.5651313 3.3850342 ] [ 2.951656 3.0846097 2.7960283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.196562e-11 4.36204e-12 1.5375498e-10 ] [ 1.4280401e-10 2.3374882e-10 1.0732603e-10 ] [ 3.0638286e-10 7.897254e-11 2.0420725e-10 ] [ 1.1650997e-10 1.5651313e-10 3.385034200000001e-10 ] [ 2.951656e-10 3.0846097e-10 2.7960283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 -9e-07 -0.0 ] [ -5e-07 1.5e-06 -6e-07 ] [ -0.0 -5e-07 7e-07 ] [ 1e-06 4e-07 -3e-07 ] [ -5e-07 -3e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 -1.44195895872e-15 0.0 ] [ -8.010883104e-16 2.4032649312e-15 -9.6130597248e-16 ] [ 0.0 -8.010883104e-16 1.12152363456e-15 ] [ 1.6021766208e-15 6.408706483200001e-16 -4.8065298624e-16 ] [ -8.010883104e-16 -4.8065298624e-16 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }