{ "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" [ [ 1.4079087 1.2118638 -0.1908159 ] [ -1.5744412 0.5138223 -0.7599801 ] [ 3.0938743 2.6368986 -1.4588109 ] [ -1.2866743 -1.2786437 -0.2017729 ] [ -0.7872671 0.1695651 -0.23227 ] [ -2.5535156 -1.1599997 2.8269891 ] [ 0.1000938 -1.1261654 0.3119241 ] [ 1.6000215 -0.9673412 -0.2952634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.255718421945316e-09 1.941619863950449e-09 -3.057207763756806e-10 ] [ -2.52253290224692e-09 8.23234083088138e-10 -1.217622358524983e-09 ] [ 4.956933111993106e-09 4.224777323147312e-09 -2.337272737404511e-09 ] [ -2.061479499028306e-09 -2.048613059351306e-09 -3.232758257544186e-10 ] [ -1.261340952336941e-09 2.716732411618734e-10 -3.7213756677918e-10 ] [ -4.09118302887449e-09 -1.85852441478701e-09 4.529335880592688e-09 ] [ 1.603679475682692e-10 -1.804315889899264e-09 4.997575046014794e-10 ] [ 2.563517061197631e-09 -1.549851467745521e-09 -4.730641203553956e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.58026 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.700586120364484e-18 } }