{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.098318 0.5122531 0.0082339 ] [ -0.1037592 0.2353213 -0.7975783 ] [ -0.4837094 0.1157372 0.4108773 ] [ 0.073315 0.4629408 -0.6753467 ] [ 0.8318879 -0.7030103 0.4729579 ] [ 0.5204493 -0.7264235 3.97e-05 ] [ -0.1111247 -0.1408717 0.0186482 ] [ -0.6287408 0.2440531 0.562168 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.575228010038144e-10 8.207199407523245e-10 1.319216207800512e-11 ] [ -1.662405644329114e-10 3.770262852362631e-10 -1.277861305517409e-09 ] [ -7.749878919411956e-10 1.854314359968538e-10 6.582980040774278e-10 ] [ 1.17463578953952e-10 7.417129265744487e-10 -1.082024693674431e-09 ] [ 1.332831344506408e-09 -1.126346666841594e-09 7.577620900026643e-10 ] [ 8.338517007717254e-10 -1.163858748499709e-09 6.360641184576e-14 ] [ -1.780413963334138e-10 -2.257013442723513e-10 2.987771006000256e-11 ] [ -1.007353810303089e-09 3.910161710537645e-10 9.006924265618944e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 33.311271 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.337053960533304e-18 } }