{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7058078 -0.4708378 0.358337 ] [ 0.6877537 -0.7395621 -0.4968575 ] [ -0.267253 0.0157139 1.7336801 ] [ -1.4037256 -1.7352183 1.5339452 ] [ 1.2741248 2.2054911 -0.432235 ] [ -0.6405128 0.4705934 -0.1709967 ] [ 0.2636242 -0.3751974 -1.2295557 ] [ 0.7917964 0.6290172 -1.2963175 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.130828755938282e-09 -7.543653153489062e-10 5.741191637676096e-10 ] [ 1.101902899008697e-09 -1.184909106249752e-09 -7.96053470369136e-10 ] [ -4.281865084386624e-10 2.517644320158912e-11 2.777661724166206e-09 ] [ -2.249016338338452e-09 -2.780126192244321e-09 2.45765113702838e-09 ] [ 2.041372966541476e-09 3.533586277802475e-09 -6.92516811691488e-10 ] [ -1.026214633483146e-09 7.539737433827827e-10 -2.739669149739514e-10 ] [ 4.223725299171033e-10 -6.01132502464946e-10 -1.969965396511379e-09 ] [ 1.268597680513605e-09 1.007796651921078e-09 -2.076929591633904e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.426701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.836200871507199e-18 } }