{ "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" [ [ -1.9227889 2.8686494 3.0886554 ] [ -1.4442282 1.1194911 -0.7622139 ] [ 0.0893674 -0.4911542 -0.9813817 ] [ 2.8418136 -1.7426201 -2.8689984 ] [ -0.1487396 1.3078237 1.3303614 ] [ 1.138302 -2.5202041 -2.1715874 ] [ -0.790147 1.5917257 4.2273824 ] [ 0.2364207 -2.1337114 -1.8622177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.080647422313749e-09 4.596083001951947e-09 4.948571471587672e-09 ] [ -2.313908657140067e-09 1.793622467613675e-09 -1.221201290628789e-09 ] [ 1.431823589416819e-10 -7.869157764477273e-10 -1.572346815820959e-09 ] [ 4.553087310591483e-09 -2.791985183156158e-09 -4.596642161592607e-09 ] [ -2.383071097071437e-10 2.095364556268153e-09 2.131473932294757e-09 ] [ 1.823760851809882e-09 -4.037812088664305e-09 -3.479266562303858e-09 ] [ -1.265955050395258e-09 2.550225703266514e-09 6.773013248461394e-09 ] [ 3.787877182131706e-10 -3.418582520614438e-09 -2.983601661779948e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.51212 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.68966884190441e-18 } }