{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7372672 1.3843251 3.0875794 ] [ -0.1093954 0.1329538 -0.2844973 ] [ 0.7859603 -0.27845 0.2406761 ] [ 3.0260133 -2.9681809 -2.6552605 ] [ -2.5921258 1.8757129 2.9121933 ] [ -0.5790205 0.682563 0.4872747 ] [ -0.2688355 0.3126702 -0.8991295 ] [ 2.4746708 -1.1415941 -2.8888363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.385585512722677e-09 2.217933310806622e-09 4.946847529543692e-09 ] [ -1.752707523030643e-10 2.13015470006519e-10 -4.558149227407238e-10 ] [ 1.259247217536954e-09 -4.4612608006176e-10 3.856056206053229e-10 ] [ 4.848207763489856e-09 -4.755550044285103e-09 -4.254196295233718e-09 ] [ -4.153043354932496e-09 3.005223355712968e-09 4.665848020510401e-09 ] [ -9.276931080639265e-10 1.09358648082311e-09 7.807001322473338e-10 ] [ -4.307219529410784e-10 5.009528844608602e-10 -1.440564263971594e-09 ] [ 3.964859699936433e-09 -1.829035377463217e-09 -4.628425981178375e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.366189240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.622152577296473e-18 } }