{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.599853 -2.1316934 4.9524712 ] [ -0.9507798 -0.1748171 1.0463063 ] [ 3.1205724 -4.5019955 2.1607923 ] [ 1.0522993 1.2912345 1.9042649 ] [ 0.520428 0.2892231 -1.7010037 ] [ -2.4058073 1.91995 -7.4327786 ] [ -1.7707925 -1.0048896 1.6628635 ] [ -5.1657731 4.312988 -2.5929159 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.971953556516742e-09 -3.415349328193663e-09 7.93473357182532e-09 ] [ -1.5233171670889e-09 -2.800878705360557e-10 1.676367492055751e-09 ] [ 4.999708142793746e-09 -7.212991937046806e-09 3.46197090546466e-09 ] [ 1.685969336544206e-09 2.068785727870378e-09 3.05096870259005e-09 ] [ 8.338175744097025e-10 4.633864890153005e-10 -2.725308360034297e-09 ] [ -3.854528210209973e-09 3.07609900310496e-09 -1.190862410050255e-08 ] [ -2.837122343787984e-09 -1.610010623605064e-09 2.664201023281661e-09 ] [ -8.276480889177541e-09 6.91016853939095e-09 -4.154309234680591e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.546593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.054321377049294e-18 } }