{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45404e-10 0.0 0.0 ] "source-value" [ 5.45404 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] "source-value" [ 0.00269758 5.32364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] "source-value" [ -0.0264471 0.0433477 5.27221 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -7.01619257727239e-09 1.002267620511528e-08 1.017703470729302e-08 ] [ -4.058712642900303e-09 3.12368829505492e-09 -3.011571980572888e-09 ] [ 6.392662286519309e-10 -1.39729059496742e-09 -2.5368033084081e-09 ] [ 9.859402551348765e-09 -5.951910707932022e-09 -1.086539515239482e-08 ] [ -1.404157203528845e-09 3.685147700035617e-09 6.326746016639342e-09 ] [ 5.31198502338297e-09 -9.871535674680423e-09 -8.262815604343413e-09 ] [ -4.225084425598458e-09 6.813363425785593e-09 1.507469269087789e-08 ] [ 8.934930459163295e-10 -6.424138648411546e-09 -6.901887208873359e-09 ] ] "source-value" [ [ -4.379163 6.2556625 6.3520055 ] [ -2.5332492 1.9496529 -1.8796754 ] [ 0.3989986 -0.8721202 -1.5833481 ] [ 6.1537551 -3.7148905 -6.7816463 ] [ -0.876406 2.3000883 3.9488443 ] [ 3.3154803 -6.161328 -5.1572439 ] [ -2.6370903 4.252567 9.4088832 ] [ 0.5576745 -4.009632 -4.3078192 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.494260171436849e-18 "source-value" -34.292475 } }