{ "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" [ [ -0.2686755 0.4933116 0.5939231 ] [ -0.093097 0.4482038 0.0300998 ] [ 0.2110209 -0.487752 -0.7819819 ] [ 0.2452111 -0.0564504 -0.2229324 ] [ 0.0118652 0.0130018 0.2205898 ] [ 0.1800087 -0.3274642 -0.0829402 ] [ -0.064766 0.3025792 0.6058169 ] [ -0.2215674 -0.3854298 -0.3625751 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.304656046817504e-10 7.903723122894414e-10 9.515697053730606e-10 ] [ -1.491578368666176e-10 7.18101649713719e-10 4.822519585075584e-11 ] [ 3.380927524801747e-10 -7.814648511484416e-10 -1.252873118068764e-09 ] [ 3.928714915806509e-10 -9.044351111480832e-11 -3.57177079298834e-10 ] [ 1.901014604111616e-11 2.083117998831744e-11 3.534238203469478e-10 ] [ 2.884057306806009e-10 -5.246554853889753e-10 -1.328848493644762e-10 ] [ -1.037665710227328e-10 4.847853201803673e-10 9.706256736655315e-10 ] [ -3.549901082114419e-10 -6.175266145196198e-10 -5.80909348504222e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 159.73894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.55929995099374e-17 } }