{ "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" [ [ -5.3585271 6.4801261 6.3048241 ] [ -1.2771514 0.8644433 -1.1546924 ] [ 0.1261008 -0.5600248 -1.0633556 ] [ 6.291307 -4.6873503 -6.1712775 ] [ -0.9103767 1.1448003 2.8616265 ] [ 3.4034537 -4.8282585 -3.3224326 ] [ -3.563442 3.3459552 4.6094892 ] [ 1.2886358 -1.7596912 -2.0641816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.585306841543223e-09 1.038230653725588e-08 1.01014417712764e-08 ] [ -2.046222114301989e-09 1.384990845267201e-09 -1.850021167495442e-09 ] [ 2.020357536241767e-10 -8.972586416281959e-10 -1.703683481916756e-09 ] [ 1.007978498967539e-08 -7.509963064159866e-09 -9.887476530969072e-09 ] [ -1.458584264861056e-09 1.834172276144826e-09 4.58483107576173e-09 ] [ 5.452933948115257e-09 -7.735722887878876e-09 -5.323123835903758e-09 ] [ -5.709263461976794e-09 5.360811195684189e-09 7.385215830070095e-09 ] [ 2.064622151485905e-09 -2.819336100467497e-09 -3.307183500605537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -65.519257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.049734217775867e-17 } }