{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.833876 0.8977566 -2.2769727 ] [ -0.8695943 1.9274305 -0.7083177 ] [ 0.2148509 -0.1649771 -2.0956038 ] [ -0.3992831 -0.334032 2.6996784 ] [ 1.0079776 0.3108927 0.0791318 ] [ -1.0050983 0.3509493 1.9799854 ] [ 0.0479628 -0.6714842 -0.9224448 ] [ -0.8306916 -2.3165358 1.2445433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.938193276853384e-09 1.438364647539284e-09 -3.648112456195891e-09 ] [ -1.393243668519586e-09 3.088084110758937e-09 -1.134850068388622e-09 ] [ 3.442290917738706e-10 -2.643224547650814e-10 -3.357527442481609e-09 ] [ -6.397220531710853e-10 -5.35178265408288e-10 4.325361651794505e-09 ] [ 1.614958158315398e-09 4.981050196211717e-10 1.267831209663612e-10 ] [ -1.610345011133122e-09 5.622827681786561e-10 3.172286343541143e-09 ] [ 7.684487746121519e-11 -1.075836295340183e-09 -1.477919504714803e-09 ] [ -1.330914671580074e-09 -3.711499530584497e-09 1.993978195261252e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.074713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.779806224685604e-18 } }