{ "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" [ [ 0.1558283 7.6873063 -2.4977432 ] [ -4.3868574 4.5541491 -9.572762 ] [ -2.3542845 1.9600419 3.5595604 ] [ -0.683478 1.2022596 -4.8507316 ] [ 11.7958966 -13.3790009 4.4996079 ] [ 3.0986464 -3.6966179 -2.2998161 ] [ -0.5717895 -1.4915715 4.6570089 ] [ -7.053962 3.1634333 6.5048756 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.496644611759421e-10 1.2316422532261e-08 -4.001825792772388e-09 ] [ -7.028520422969991e-09 7.296551275772129e-09 -1.533725559924311e-08 ] [ -3.771979615688372e-09 3.140333333840965e-09 5.703044500191693e-09 ] [ -1.095052481453052e-09 1.926232239122186e-09 -7.771728827325433e-09 ] [ 1.889910990960004e-08 -2.143552262824497e-08 7.209166639541808e-09 ] [ 4.964578859108217e-09 -5.922634824206148e-09 -3.684711617917007e-09 ] [ -9.161077764665429e-10 -2.389761005240331e-09 7.461350843910043e-09 ] [ -1.130169309352391e-08 5.068378916477511e-09 1.042195969339673e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -30.095276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.821794800098098e-18 } }