{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7629709 2.9529893 -0.9887051 ] [ -0.6599878 -0.4438891 -0.7479759 ] [ 0.2421811 0.1511615 -0.6182526 ] [ -0.0631911 -0.140002 -1.0127291 ] [ 0.9540591 -0.1970323 0.3698746 ] [ 0.9188187 -2.6109353 -1.4855024 ] [ -0.848514 1.226326 2.2607299 ] [ -2.3063369 -0.9386181 2.2225605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.82459078240195e-09 4.731210456912015e-09 -1.584080209136633e-09 ] [ -1.057417031885065e-09 -7.111887441072892e-10 -1.19838950977512e-09 ] [ 3.880168996164173e-10 2.42187423260391e-10 -9.905498696297483e-10 ] [ -1.012433038967574e-10 -2.24307933113268e-10 -1.622570900591849e-09 ] [ 1.528571197475069e-09 -3.156805472032782e-10 5.926044416300963e-10 ] [ 1.472109852022256e-09 -4.183179530545779e-09 -2.380037235030921e-09 ] [ -1.359469304421876e-09 1.964790862866684e-09 3.622088621565156e-09 ] [ -3.695159091311994e-09 -1.503831988069475e-09 3.560934500751357e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.192449 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.798669611503667e-18 } }