{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4808457 -0.5043321 -1.6556253 ] [ -0.1677811 -0.0137138 0.6310577 ] [ -0.0313549 -0.4306651 -0.9980005 ] [ -1.1601321 -0.8095712 3.8680397 ] [ 1.344168 0.6663784 -2.2050586 ] [ -0.8166605 0.5895959 2.1765305 ] [ 0.4131292 -0.2224362 -2.4990341 ] [ -0.0622144 0.724744 0.6820906 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.703997387522106e-10 -8.080290997389676e-10 -2.652604148464986e-09 ] [ -2.688149558321069e-10 -2.197192974232704e-11 1.01106589331582e-09 ] [ -5.023608772752192e-11 -6.90001554614494e-10 -1.59897306864671e-09 ] [ -1.858736527659608e-09 -1.297076049513001e-09 6.197282775666246e-09 ] [ 2.153594544027495e-09 1.067655893086111e-09 -3.532893336413979e-09 ] [ -1.308434360230839e-09 9.446367666995347e-10 3.487186281558135e-09 ] [ 6.619059456098073e-10 -3.56382079259593e-10 -4.003894009601969e-09 ] [ -9.967845715709953e-11 1.161167892865075e-09 1.092829612587444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.750365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.645010291766659e-18 } }