{ "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" [ [ 1.1435 0.1333127 -1.1339345 ] [ -0.4976467 1.255971 -0.8491077 ] [ 0.0262492 -0.2831515 -0.8271903 ] [ -0.1998208 -0.335678 1.2242622 ] [ 0.6435428 0.2385871 0.677911 ] [ -0.6558994 0.8143601 1.2471708 ] [ -0.1301965 -0.6572742 -0.2764035 ] [ -0.3297288 -1.1661271 -0.0627081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.8320889658848e-09 2.135904911957242e-10 -1.816763345418538e-09 ] [ -7.973179081582714e-10 2.012287372602797e-09 -1.36042050548126e-09 ] [ 4.205585455470336e-11 -4.536587134444512e-10 -1.325304959612538e-09 ] [ -3.201482141095526e-10 -5.378154437169023e-10 1.961484274569174e-09 ] [ 1.03106922864417e-09 3.822586736444717e-10 1.086133155183149e-09 ] [ -1.050866684276748e-09 1.30474871313235e-09 1.998187897904432e-09 ] [ -2.085977884099872e-10 -1.053069356695023e-09 -4.428472256072929e-10 ] [ -5.28283774564439e-10 -1.868341576501304e-09 -1.004694517547885e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 651.75075 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.044219814238866e-16 } }