{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8760427 1.5723616 -0.0561226 ] [ -1.9649874 0.2849232 -0.9219166 ] [ 4.9377889 4.6727152 -3.042063 ] [ -1.9597115 -1.7462149 -0.4803078 ] [ -0.4883701 0.5574033 -0.2855284 ] [ -4.1285121 -2.8935472 4.8333351 ] [ 0.4083079 -1.1444301 0.1944536 ] [ 1.3194415 -1.3032111 -0.2418503 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.005751753562508e-09 2.519200994963681e-09 -8.991831761851009e-11 ] [ -3.148256872446578e-09 4.564972897635226e-10 -1.477073222847425e-09 ] [ 7.91120993402575e-09 7.486515049096796e-09 -4.873922217600711e-09 ] [ -3.139803948812899e-09 -2.79774468767261e-09 -7.695379279478824e-10 ] [ -7.82455156517758e-10 8.930585356167687e-10 -4.574669270544308e-10 ] [ -6.614605565309912e-09 -4.635973675021302e-09 7.74385649771203e-09 ] [ 6.541813714679443e-10 -1.833579150359806e-09 3.115490117503949e-10 ] [ 2.113978323813283e-09 -2.087974356387051e-09 -3.874868963934662e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.183367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.636996804842623e-18 } }