{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.6193467 6.4560697 -7.1375416 ] [ -3.0310446 -5.9975525 16.3594246 ] [ 18.8413982 11.6107172 -20.3466668 ] [ -24.1887629 19.8388883 -24.172495 ] [ -1.210094 6.1301268 -4.2269941 ] [ -10.3002596 -5.3178189 -4.131748 ] [ 11.4171547 -16.3377634 21.7076295 ] [ -6.1477385 -16.382667 21.9483914 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.342277549410963e-08 1.034376393559527e-08 -1.143560228150742e-08 ] [ -4.856268794722088e-09 -9.609138397520592e-09 2.621068762386039e-08 ] [ 3.01872476992232e-08 1.860241964856044e-08 -3.259895385816755e-08 ] [ -3.875467040445441e-08 3.178540301692266e-08 -3.87286063554049e-08 ] [ -1.938784315770355e-09 9.821545841499518e-09 -6.772391123279537e-09 ] [ -1.650283511929076e-08 -8.520085115228372e-09 -6.619790048637159e-09 ] [ 1.829229833639684e-08 -2.617598255564192e-08 3.47794564778884e-08 ] [ -9.849762895492062e-09 -2.624792605375168e-08 3.516519956524778e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.9631653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.145337546425819e-19 } }