{ "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" [ [ -1.5766328 2.2137841 2.5277562 ] [ -1.3698933 0.9456296 -0.4279879 ] [ 0.0157924 -0.5297747 -1.0639695 ] [ 2.54079 -1.5364366 -2.4037581 ] [ 0.0319019 1.0389511 0.7836221 ] [ 0.6450639 -1.642484 -1.7498844 ] [ -0.29685 1.16541 3.6947222 ] [ 0.0098278 -1.6550795 -1.3605004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.526044211746442e-09 3.546873128518769e-09 4.049911886722249e-09 ] [ -2.194811018250561e-09 1.515065637056456e-09 -6.857122073652883e-10 ] [ 2.530221406632192e-11 -8.487926386313338e-10 -1.704667058144266e-09 ] [ 4.070794336362432e-09 -2.461642799861441e-09 -3.851245029878629e-09 ] [ 5.111247833909952e-11 1.664583162574443e-09 1.2555010081622e-09 ] [ 1.033506299502069e-09 -2.631549464838067e-09 -2.803623874782635e-09 ] [ -4.7560612988448e-10 1.867192655646528e-09 5.919597529190742e-09 ] [ 1.574587139389824e-11 -2.651729680465354e-09 -2.179761933469048e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.456534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.68076298294003e-18 } }