{ "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" [ [ 1.9024341 1.5705351 -0.2266038 ] [ -2.0184805 0.3054409 -0.8332824 ] [ 7.1810979 7.1325551 -3.947455 ] [ -1.7752595 -1.6059506 -0.1183774 ] [ -2.3778083 -1.3944583 -0.3384714 ] [ -4.6707586 -3.7069875 5.4919083 ] [ 0.417489 -0.9375588 0.347501 ] [ 1.3412859 -1.3635758 -0.3752193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.048035462744819e-09 2.516274640096853e-09 -3.630593135356091e-10 ] [ -3.233962293284637e-09 4.893702730479306e-10 -1.335065590803441e-09 ] [ 1.150538726184647e-08 1.142761312193753e-08 -6.324520164766469e-09 ] [ -2.844279290186523e-09 -2.57301652667828e-09 -1.896615042736716e-10 ] [ -3.809668898391261e-09 -2.234168505347361e-09 -5.422909683572676e-10 ] [ -7.483380291974552e-09 -5.939248755030074e-09 8.799007154330662e-09 ] [ 6.68891120752026e-10 -1.502134802361079e-09 5.567579824916339e-10 ] [ 2.14897692849366e-09 -2.184689285447857e-09 -6.011675950858362e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.960506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.60129058260168e-18 } }