{ "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" [ [ 1.4003393 1.0574275 -1.641765 ] [ -0.5472526 1.5646921 -0.7650481 ] [ 0.2932749 -0.1641792 -1.625168 ] [ -0.2855283 -0.330064 2.4835858 ] [ 0.4955949 0.3462182 -0.1331937 ] [ -0.8708886 0.4447376 1.8174548 ] [ 0.2022813 -0.6358517 -0.9043625 ] [ -0.687821 -2.2829804 0.7684967 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.243590906131916e-09 1.694185632649035e-09 -2.630397521519009e-09 ] [ -8.767953286157483e-10 2.506913122024392e-09 -1.225742189706095e-09 ] [ 4.698781921186866e-10 -2.630440780288128e-10 -2.603806195924512e-09 ] [ -4.574667706057422e-10 -5.28820828524576e-10 3.979143137294197e-09 ] [ 7.940305687095666e-10 5.547027103055386e-10 -2.133998339360058e-10 ] [ -1.395317365736972e-09 7.125481909812383e-10 2.911883613911143e-09 ] [ 3.240903723551442e-10 -1.018746736429178e-09 -1.448948466165825e-09 ] [ -1.102010734574514e-09 -3.657737852759973e-09 1.231267456046108e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.157167 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.793016811903588e-18 } }