{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.500298 7.6472496 7.6774728 ] [ -3.0183327 2.2254583 -2.0411277 ] [ 0.5214751 -1.1078494 -1.9104551 ] [ 7.4379414 -4.5544991 -8.1298696 ] [ -1.0717473 2.5479945 5.0019954 ] [ 3.9852844 -7.2919186 -5.8397111 ] [ -3.3279233 4.9490701 10.0079761 ] [ 0.9736005 -4.4155055 -4.7662809 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.81244893563693e-09 1.225224462348585e-08 1.230066752833055e-08 ] [ -4.835902125578131e-09 3.565577288201362e-09 -3.270247107950162e-09 ] [ 8.354952204328133e-10 -1.77497042267092e-09 -3.060886521526133e-09 ] [ 1.191689591614125e-08 -7.297112037594029e-09 -1.302548711058692e-08 ] [ -1.717128481612588e-09 4.082337251460513e-09 8.014080153255483e-09 ] [ 6.385129545524709e-09 -1.168294159794999e-08 -9.356248673730436e-09 ] [ -5.331920951004172e-09 7.929284474248042e-09 1.603454546105045e-08 ] [ 1.559879971950717e-09 -7.074419739398486e-09 -7.63642388906049e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.830974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.420319604826151e-18 } }