{ "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" [ [ 0.4653533 1.2652098 0.2865642 ] [ -1.151728 -0.0763437 -1.543982 ] [ 1.4628877 1.4302586 -1.2379453 ] [ -0.5694386 -1.4440595 1.6127387 ] [ 0.0834706 1.6329499 1.091544 ] [ -0.3070709 -2.3280718 1.1173851 ] [ -1.5398798 0.2912902 -0.7730583 ] [ 1.5564057 -0.7712335 -0.5532464 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.455781776721288e-10 2.027089561967044e-09 4.591264615982554e-10 ] [ -1.845271675120743e-09 -1.22316091285369e-10 -2.473731863336026e-09 ] [ 2.343804471795884e-09 2.291526890618139e-09 -1.983407017489242e-09 ] [ -9.123412119010829e-10 -2.313638369944137e-09 2.583892240599385e-09 ] [ 1.337346438441485e-10 2.616274152717698e-09 1.748846277374515e-09 ] [ -4.919818169080147e-10 -3.729982209503774e-09 1.79024828365027e-09 ] [ -2.46715941440218e-09 4.666983483081562e-10 -1.238575934775393e-09 ] [ 2.493636825019859e-09 -1.235652282877757e-09 -8.863984476217651e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.060651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.777553196302814e-18 } }