{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7456268 1.9982317 0.6657218 ] [ -1.5198585 -0.6342803 -2.2614643 ] [ 1.0364648 1.2798273 -1.123789 ] [ -0.0381379 -1.7011926 1.9911998 ] [ 0.1102304 1.3477799 1.1496131 ] [ 0.2668755 -2.3381581 1.056034 ] [ -1.9010149 0.7276868 -1.0689691 ] [ 1.2998138 -0.6798945 -0.4083463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.194625836644191e-09 3.201520139058097e-09 1.066603912704421e-09 ] [ -2.435081775686289e-09 -1.01622907606651e-09 -3.623265260085166e-09 ] [ 1.660599684523483e-09 2.050509395615308e-09 -1.800508477346226e-09 ] [ -6.110365224982861e-11 -2.725611033653708e-09 3.190253793185473e-09 ] [ 1.766085712364736e-10 2.159381463554856e-09 1.841883246960305e-09 ] [ 4.275816902870669e-10 -3.746142274417835e-09 1.691952999509556e-09 ] [ -3.045761653665847e-09 1.165882787830231e-09 -1.712677314488009e-09 ] [ 2.082531298910749e-09 -1.089311081485113e-09 -6.542429004403541e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.33494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.821499186579196e-18 } }