{ "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" [ [ 0.4622415 1.1447066 0.2078678 ] [ -1.0834863 -0.1825991 -1.4085792 ] [ 1.4643532 1.2857253 -1.1137083 ] [ -0.598184 -1.1569306 1.4685787 ] [ 0.028188 1.4691083 0.8879265 ] [ -0.3148166 -2.1838449 1.1988882 ] [ -1.3967802 0.2443095 -0.6295495 ] [ 1.4384844 -0.620475 -0.6114243 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.40592530565111e-10 1.834022167305584e-09 3.330409321209852e-10 ] [ -1.735936433119114e-09 -2.925560114094294e-10 -2.256792681378412e-09 ] [ 2.346152480963129e-09 2.05995903340264e-09 -1.784357415351862e-09 ] [ -9.58396427632656e-10 -1.8536071744796e-09 2.352922478330095e-09 ] [ 4.5162154959192e-11 2.353770991075462e-09 1.422615091009401e-09 ] [ -5.043918005153243e-10 -3.498905271060066e-09 1.920830660818319e-09 ] [ -2.237888599273847e-09 3.91426972364223e-10 -1.008649498846383e-09 ] [ 2.304706094053509e-09 -9.9411054698115e-10 -9.796097269198062e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.03731407419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.171637622178681e-18 } }