{ "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" [ [ 0.5459372 1.5376827 0.4051453 ] [ -1.3014698 -0.1723513 -1.9256784 ] [ 1.8445414 1.9054462 -1.635726 ] [ -0.7855349 -1.7302651 2.0146036 ] [ -0.0738279 2.0458012 1.3465006 ] [ -0.2427681 -2.9540448 1.4504574 ] [ -1.7393373 0.4040216 -0.9577863 ] [ 1.7524594 -1.0362904 -0.6975162 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.746878254713847e-10 2.463639292446031e-09 6.491143330349201e-10 ] [ -2.085184503416653e-09 -2.761372256995242e-10 -3.085276937078505e-09 ] [ 2.955281131525647e-09 3.05286137898409e-09 -2.620721976826284e-09 ] [ -1.258565661971527e-09 -2.772190313845673e-09 3.227750814692282e-09 ] [ -1.182853363172886e-10 3.277734880449161e-09 2.15733179898698e-09 ] [ -3.889573773005754e-10 -4.732901554349203e-09 2.323888954892391e-09 ] [ -2.786725580704648e-09 6.473139671512942e-10 -1.534542830225314e-09 ] [ 2.807749502713659e-09 -1.660320264918513e-09 -1.117544157476471e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.055316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.776698482668634e-18 } }