{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5267386 1.6356218 0.4010286 ] [ -1.3565184 -0.2039823 -1.969353 ] [ 1.5977021 1.7292525 -1.5568019 ] [ -0.4931965 -1.7929773 1.9402626 ] [ 0.1378571 1.821044 1.3632617 ] [ -0.2790164 -2.7568242 1.2897554 ] [ -1.8723483 0.4592433 -0.9165815 ] [ 1.7387818 -0.8913779 -0.5515719 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.439282701929228e-10 2.620555008430814e-09 6.425186471921549e-10 ] [ -2.173382066165022e-09 -3.268156721170119e-10 -3.155251334702342e-09 ] [ 2.559800951623064e-09 2.770567926959952e-09 -2.49427160739702e-09 ] [ -7.901879017603872e-10 -2.872666311685108e-09 3.108643375932622e-09 ] [ 2.208714226312877e-10 2.917634122248115e-09 2.184186023772064e-09 ] [ -4.470335528997811e-10 -4.416919280895664e-09 2.066415948430553e-09 ] [ -2.999832672254625e-09 7.357888785190406e-10 -1.468525450357795e-09 ] [ 2.785835548632541e-09 -1.4281448316778e-09 -8.837156028702355e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.221968 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.803399028896574e-18 } }