{ "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" [ [ -0.6015614 2.4465405 -0.0986692 ] [ -0.3441405 1.0586105 -3.6805587 ] [ -2.1913338 0.5651378 1.9319767 ] [ 0.3866426 2.0081658 -3.0093054 ] [ 3.6417936 -3.2877461 1.9640628 ] [ 2.465403 -3.2751264 -0.0758319 ] [ -0.6494281 -0.6669586 0.3108833 ] [ -2.7073755 1.1513765 2.6574424 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.63807611055717e-10 3.919789990940342e-09 -1.580854854330394e-10 ] [ -5.513738633704224e-10 1.696080993633398e-09 -5.896905100622042e-09 ] [ -3.510903782728824e-09 9.054505706903463e-10 3.095367900670336e-09 ] [ 6.19469734325326e-10 3.217436295450129e-09 -4.821438756727193e-09 ] [ 5.834796563699067e-09 -5.267549936546379e-09 3.146775499942986e-09 ] [ 3.950011047450182e-09 -5.247330948244869e-09 -1.214960972908435e-10 ] [ -1.040498518710564e-09 -1.068585475961499e-09 4.980899550571526e-10 ] [ -4.337693729826711e-09 1.844708510038531e-09 4.257692084402642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 694.46203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.112650828499308e-16 } }