{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5178639000000002 1.5609028000000005 -1.0771083000000001 ] [ 0.5688123000000002 0.35865880000000006 0.3694371000000001 ] [ 1.1848756000000003 1.4140382000000002 -2.5144189000000003 ] [ 0.9104595000000002 -0.13683830000000002 0.6177738000000002 ] [ -0.6514063000000001 -0.8458513000000002 -1.7700197000000004 ] [ -0.4168632000000001 -1.5723707000000005 2.7144201000000003 ] [ -1.5336504000000004 -0.6791069000000001 -1.2214503000000003 ] [ -0.5800916000000002 -0.09943270000000003 2.8813663000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.297094333363094e-10 2.500841973501259e-09 -1.725717736329633e-09 ] [ 9.113377686834761e-10 5.746347442041831e-10 5.919034844761518e-10 ] [ 1.898379984876373e-09 2.265538944958115e-09 -4.028543176477654e-09 ] [ 1.458716925085258e-09 -2.192391250900167e-10 9.897827393027753e-10 ] [ -1.043667944501831e-09 -1.355203177533287e-09 -2.835884181695431e-09 ] [ -6.678884731118747e-10 -2.519215574770932e-09 4.348980423249598e-09 ] [ -2.457178815360569e-09 -1.088049198203964e-09 -1.956979114129147e-09 ] [ -9.294091994424655e-10 -1.593087472830202e-10 4.616457721821e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.231441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.804916770809457e-18 } }