{ "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" [ [ 0.967311 0.7521248 -1.5044702 ] [ -0.4665044 1.3558842 -0.0672989 ] [ 0.3510044 -0.0322819 -1.6077324 ] [ -0.2792305 -0.1520701 2.2601549 ] [ 0.3845644 0.1278682 -0.7657298 ] [ -0.7469927 -0.016236 1.3167863 ] [ 0.322715 -0.3894618 -1.0105492 ] [ -0.5328672 -1.6458275 1.3788392 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.549803069242669e-09 1.205036770483876e-09 -2.4104269811303e-09 ] [ -7.474224431803315e-10 2.172365965752111e-09 -1.078247241855571e-10 ] [ 5.623710434779315e-10 -5.172130545500352e-11 -2.575871263782674e-09 ] [ -4.473765789142944e-10 -2.436431589427181e-10 3.621167340166562e-09 ] [ 6.161400908719795e-10 2.048674405837785e-10 -1.22683438340986e-09 ] [ -1.196814239848268e-09 -2.60129396153088e-11 2.109724224449735e-09 ] [ 5.17046428181472e-10 -6.239865906546856e-10 -1.619078302408143e-09 ] [ -8.537473698311578e-10 -2.636906342369712e-09 2.209143930082575e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.825436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.900085260996668e-18 } }