{ "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" [ [ 1.6095436 1.3087265 -0.0728528 ] [ -1.7176964 0.1927188 -0.7910971 ] [ 3.440605 3.032734 -1.5537472 ] [ -1.6915601 -1.5164819 -0.3777392 ] [ -0.3117702 0.4439438 -0.3000921 ] [ -2.6396608 -1.6337765 3.1249284 ] [ 0.3356105 -0.8347792 0.2123212 ] [ 0.9749285 -0.9930855 -0.2417211 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.578773147324242e-09 2.096811018596601e-09 -1.167230538814752e-10 ] [ -2.752053036385917e-09 3.087695582925192e-10 -1.267477288845161e-09 ] [ 5.512456937823569e-09 4.858975551937355e-09 -2.489377458982925e-09 ] [ -2.710178067226703e-09 -2.429671866063925e-09 -6.052049199858528e-10 ] [ -4.995109296175068e-10 7.112763831691691e-10 -4.808005506679913e-10 ] [ -4.229202855445747e-09 -2.617598533478301e-09 5.006687265403005e-09 ] [ 5.377073012250569e-10 -1.337463728789213e-09 3.401760655428407e-10 ] [ 1.562007662520669e-09 -1.591098383664207e-09 -3.872798983647774e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.41997929230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.514688656489249e-18 } }