{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 26.6042344 15.5812221 -2.943685 ] [ -7.6342423 -0.203101 16.1160285 ] [ 28.6848267 20.8047006 -30.639736 ] [ -42.0773799 29.9148401 -21.0660961 ] [ 1.5595117 1.7080172 -7.8707205 ] [ -28.5307269 -21.6688898 17.7071976 ] [ 38.7593124 -26.8341688 14.6430987 ] [ -17.365536 -19.3026204 14.0539129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.262468236996312e-08 2.496386977211228e-08 -4.716303285999648e-09 ] [ -1.223140453058242e-08 -3.254036738611008e-10 2.582072408284649e-08 ] [ 4.595815871043961e-08 3.333280490406373e-08 -4.909026868668411e-08 ] [ -6.741539434029984e-08 4.792885742319034e-08 -3.375160666294606e-08 ] [ 2.498613185604063e-09 2.736545225764278e-09 -1.261028437395129e-08 ] [ -4.571126361360966e-08 -3.471738863625159e-08 2.837005801460587e-08 ] [ 6.209926416556353e-08 -4.29930778899608e-08 2.346083039320687e-08 ] [ -2.782265578686075e-08 -3.092620712505715e-08 2.251685067913953e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.640017 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.312336821031456e-18 } }