{ "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" [ [ 1.5596586 1.2054401 -1.8080751 ] [ -0.6910372 1.9631415 -0.7945233 ] [ 0.4963506 -0.2574454 -1.7975452 ] [ -0.459685 -0.3657502 2.8881588 ] [ 0.4576105 0.3882688 -0.2144113 ] [ -0.9247878 0.5744036 1.8006849 ] [ 0.2041123 -0.8671065 -1.0480584 ] [ -0.6422221 -2.6409519 0.9737695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.498848545349659e-09 1.931327945994814e-09 -2.896855653870622e-09 ] [ -1.107163645943094e-09 3.145299414622243e-09 -1.272966655940865e-09 ] [ 7.952413270400524e-10 -4.124730010125043e-10 -2.87998489427126e-09 ] [ -7.364965599324481e-10 -5.859964194929242e-10 4.627340506517783e-09 ] [ 7.331728445325984e-10 6.220751939460711e-10 -3.435247720953351e-10 ] [ -1.481673392361066e-09 9.202960188233549e-10 2.885015248207586e-09 ] [ 3.270239550777159e-10 -1.389257762043715e-09 -1.679174665713055e-09 ] [ -1.02895323398108e-09 -4.23127139083734e-09 1.560150726948106e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.754371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.728481730760952e-18 } }