{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9089888 5.8561139 -0.6685222 ] [ -6.8726785 7.184739 -12.9861787 ] [ -2.7889684 1.7169826 3.4328257 ] [ -0.4215425 2.3966784 -5.4224807 ] [ 11.8053728 -11.6544829 11.1637668 ] [ 2.123521 -3.4993354 -3.0303835 ] [ -0.8387864 -1.374459 4.055488 ] [ -4.9159067 -0.6262366 3.4554845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.058537249927699e-09 9.382528856622613e-09 -1.071090648150275e-09 ] [ -1.101124490569417e-08 1.151122094718853e-08 -2.080615207808849e-08 ] [ -4.468420003444365e-09 2.750909402704568e-09 5.499993125134693e-09 ] [ -6.75385543737945e-10 3.839902131692505e-09 -8.687771875855964e-09 ] [ 1.891429245581915e-08 -1.867254018373255e-08 1.788632631438495e-08 ] [ 3.402255728008314e-09 -5.606553412409044e-09 -4.855209635759139e-09 ] [ -1.343883970996978e-09 -2.202126094191006e-09 6.497608113067392e-09 ] [ -7.876150849664047e-09 -1.003341647875604e-09 5.536296525049172e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.963518 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.960902504603841e-18 } }