{ "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" [ [ -1.5305914 2.3042758 2.420087 ] [ -1.3947111 1.0175876 -0.5615244 ] [ 0.2490009 -0.5733874 -1.0748374 ] [ 2.5662712 -1.2490698 -2.2901949 ] [ -0.1799793 1.0477128 1.0269569 ] [ 0.7854076 -2.1421239 -1.8328994 ] [ 1.5166767 3.4365152 6.3584262 ] [ -2.0120745 -3.8415104 -4.046014 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.452277777281347e-09 3.691856845051657e-09 3.877406843647158e-09 ] [ -2.234573535600437e-09 1.630355075768138e-09 -8.996612731008696e-10 ] [ 3.989434238249706e-10 -9.186678945100115e-10 -1.722079367629312e-09 ] [ 4.11161975314714e-09 -2.001230447795053e-09 -3.669296756085966e-09 ] [ -2.883586290636762e-10 1.678620967302715e-09 1.645366349305074e-09 ] [ 1.258361704886018e-09 -3.432060859712952e-09 -2.936628591152619e-09 ] [ 2.429983970072228e-09 5.505904355825836e-09 1.018732188665341e-08 ] [ -3.223698749767233e-09 -6.154778202147993e-09 -6.482429091636876e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.619281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.706837973808016e-18 } }