{ "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" [ [ -0.3515829 5.467949 -0.8031554 ] [ -0.9817023 1.1064605 -6.4395796 ] [ -2.0573677 1.400139 3.7427666 ] [ -0.0950424 0.7745348 -4.457147 ] [ 4.972494 -6.2689205 4.3418423 ] [ 1.4371958 -1.8338837 -3.457901 ] [ -0.4303661 -1.575513 4.4307881 ] [ -2.4936284 0.9292338 2.6423861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.632979072939585e-10 8.760620123703664e-09 -1.286796815350923e-09 ] [ -1.572860486604058e-09 1.772745159543957e-09 -1.031734396790307e-08 ] [ -3.296266456486321e-09 2.243269990152126e-09 5.996573193035623e-09 ] [ -1.522747125192816e-10 1.240941558779863e-09 -7.141136777703198e-09 ] [ 7.966813699505195e-09 -1.00439179455036e-08 6.956398281572816e-09 ] [ 2.302641529242937e-09 -2.938205613613465e-09 -5.540168184885234e-09 ] [ -6.895225094857072e-10 -2.524250115163242e-09 7.098905164025254e-09 ] [ -3.995233156358805e-09 1.488796681883029e-09 4.233569267426387e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.253499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.007362582854236e-18 } }