{ "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" [ [ 0.3335114 0.5874262 -0.7149482 ] [ 0.6402336 -0.8594301 -0.3986781 ] [ 0.0999591 0.1645649 1.667955 ] [ -1.5513089 -1.6790112 1.7945747 ] [ 1.4075499 2.2344577 -0.6056633 ] [ -0.9577319 0.2274889 -0.0895676 ] [ 0.4360379 -0.1920368 -1.5334981 ] [ -0.4082512 -0.4834597 -0.1201745 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.343441722526276e-10 9.411605318394108e-10 -1.145473300560359e-09 ] [ 1.025767314221702e-09 -1.376958824776283e-09 -6.387527363075153e-10 ] [ 1.601521343756694e-10 2.636620375565466e-10 2.67235852756347e-09 ] [ -2.485470871696243e-09 -2.6900725128643e-09 2.875225652307559e-09 ] [ 2.255143560969037e-09 3.579995916601382e-09 -9.70379587331332e-10 ] [ -1.534455671816424e-09 3.644774000743626e-10 -1.435031158834584e-10 ] [ 6.986097349184285e-10 -3.076768738281312e-10 -2.456934824103395e-09 ] [ -6.540905334424607e-10 -7.745878348206498e-10 -1.92540775902633e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.502697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.527941494338189e-18 } }