{ "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" [ [ -0.9463547 1.6316825 1.8649876 ] [ -1.0225522 0.6968259 -0.5178929 ] [ 0.1107277 -0.3046011 -0.672469 ] [ 1.762586 -0.9647919 -1.768285 ] [ -0.130809 0.9593399 0.7433264 ] [ 0.4582615 -1.5097539 -1.4836055 ] [ -0.1861253 0.9869933 3.2439671 ] [ -0.045734 -1.4956947 -1.4100289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.516227375324198e-09 2.614243554068496e-09 2.988039530801902e-09 ] [ -1.638309228387606e-09 1.116438165747919e-09 -8.297558964583123e-10 ] [ 1.774053322149562e-10 -4.880247610899629e-10 -1.077414110012755e-09 ] [ 2.823974081349389e-09 -1.545767026117212e-09 -2.833104885911328e-09 ] [ -2.095791215902272e-10 1.53703195918061e-09 1.190940179703429e-09 ] [ 7.342158615127393e-10 -2.418892401741621e-09 -2.376998046590294e-09 ] [ -2.982056041993862e-10 1.581337590146241e-09 5.197408246264375e-09 ] [ -7.32739455756672e-11 -2.39636708019447e-09 -2.259115338232341e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.964324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.679290302527634e-18 } }