{ "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" [ [ 1.7137774 1.0991342 -2.0536386 ] [ -0.7526972 2.2196552 -0.9036781 ] [ 0.281086 -0.1496038 -2.1051013 ] [ -0.3370527 -0.3438064 3.0365956 ] [ 0.6832241 0.3037956 -0.1347922 ] [ -1.0815789 0.3772189 1.891102 ] [ 0.1791664 -0.7608783 -0.9833565 ] [ -0.685925 -2.7455154 1.252869 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.745774106157271e-09 1.761007132870283e-09 -3.290291779600472e-09 ] [ -1.205953866317225e-09 3.556279696976597e-09 -1.447851936477515e-09 ] [ 4.50349421344524e-10 -2.396917127176092e-10 -3.372744115063024e-09 ] [ -5.400179603666117e-10 -5.508385806996575e-10 4.865162517227211e-09 ] [ 1.094645688805679e-09 4.867342118320103e-10 -2.159609132854548e-10 ] [ -1.732880441407422e-09 6.043713074831826e-10 3.029879436910668e-09 ] [ 2.870562196778976e-10 -1.219061433577642e-09 -1.575510807192021e-09 ] [ -1.09897300767645e-09 -4.398800622167163e-09 2.007317437262946e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.98648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.765669739590831e-18 } }