{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1381674 0.6971797 -3.9884207 ] [ 0.4133985 0.1056869 -3.204016 ] [ 1.533259 6.6358269 -0.115972 ] [ 0.0864508 -0.4281538 0.083495 ] [ 1.5607687 -1.5311903 4.3185223 ] [ -3.2169569 -3.0995492 5.0219014 ] [ -1.3581869 -0.164867 -3.2341996 ] [ -0.1569005 -2.2149333 1.1186897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.823545198836722e-09 1.117005015836358e-09 -6.390154399454771e-09 ] [ 6.623374117737889e-10 1.693290803048275e-10 -5.133399527869134e-09 ] [ 2.456551723431187e-09 1.063176671885574e-08 -1.858076270674176e-10 ] [ 1.385094506094566e-10 -6.85978008466679e-10 1.33773736953696e-10 ] [ 2.500627121616409e-09 -2.453237300655738e-09 6.919035465463444e-09 ] [ -5.154133135301243e-09 -4.966025263259343e-09 8.045973015042788e-09 ] [ -2.176055297856828e-09 -2.641460529414336e-10 -5.181758986120712e-09 ] [ -2.513823128918304e-10 -3.548714349891393e-09 1.792338483269766e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.251855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.603834212563158e-18 } }