{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1008738 -1.0996806 -0.5326821 ] [ 0.020218 0.1291011 0.3399119 ] [ -15.6711794 -6.7114908 -4.3770251 ] [ 0.4791347 1.1391295 4.9621888 ] [ 2.66707 2.7938736 -1.7660011 ] [ 7.8528078 5.8335269 -2.0668664 ] [ 6.9118348 5.3699172 7.4354541 ] [ -1.1590121 -7.454377 -3.9949801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.763794264811255e-09 -1.761882547667316e-09 -8.534508069386477e-10 ] [ 3.23928069193344e-11 2.068427641395629e-10 5.445988993117075e-10 ] [ -2.510799725504257e-08 -1.075299365047429e-08 -7.012767283874782e-09 ] [ 7.676584145540217e-10 1.825086652963593e-09 7.950302883355606e-09 ] [ 4.273117200037056e-09 4.476278963390331e-09 -2.829445674727083e-09 ] [ 1.258158506479588e-08 9.3463404159879e-09 -3.311485024397061e-09 ] [ 1.107398012339184e-08 8.603555793471797e-09 1.191291072405151e-08 ] [ -1.856942089844312e-09 -1.194322855202924e-08 -6.400663716781246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.250667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.603643873980607e-18 } }