{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3431394 -5.1049249 -2.1113557 ] [ 1.4616066 -2.1951236 8.6112111 ] [ 4.0657131 -6.1374722 4.5747647 ] [ -10.0939401 0.1624102 -0.6487642 ] [ 1.9041822 9.4446183 -4.5051254 ] [ 0.790303 -1.4166688 -1.0217908 ] [ 5.9594002 -0.8722089 1.0699447 ] [ -0.7441258 6.11937 -5.9688844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.35629978675534e-09 -8.178991325719779e-09 -3.382764740732818e-09 ] [ 2.341751923326977e-09 -3.516975711686331e-09 1.379668110119345e-08 ] [ 6.513990475700293e-09 -9.833314469649941e-09 7.329581048001126e-09 ] [ -1.617227483997561e-08 2.602098254194522e-10 -1.039434833652015e-09 ] [ 3.050836202583509e-09 1.513194663263984e-08 -7.218006589652249e-09 ] [ 1.266204989948102e-09 -2.269753630776791e-09 -1.637089331108529e-09 ] [ 9.548011674430846e-09 -1.397432708033685e-09 1.71424038388887e-09 ] [ -1.192220959694097e-09 9.804311548024895e-09 -9.563207037937836e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.834868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.376807868225406e-18 } }