{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8394672 -1.9492076 0.0024389 ] [ -0.0608975 -0.7957556 1.0660082 ] [ 0.5019646 -3.3097318 -1.1368695 ] [ 0.2017032 0.8101767 4.9946973 ] [ 0.6401554 1.3620874 -2.3690055 ] [ 0.3447648 0.7916405 1.5692211 ] [ 2.0675098 0.7678181 -2.2634332 ] [ 0.1442669 2.3229723 -1.8630572 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.151504584168438e-09 -3.122974845805678e-09 3.90754856046912e-12 ] [ -9.7568550765168e-11 -1.274941018190677e-09 1.70793341562109e-09 ] [ 8.042359465892236e-10 -5.302774911078302e-09 -1.821465733800585e-09 ] [ 3.231641513805466e-10 1.298046167456895e-09 8.002387242032884e-09 ] [ 1.025642015558873e-09 2.182304587766258e-09 -3.795565226646615e-09 ] [ 5.523741022347878e-10 1.268347901178422e-09 2.514169359286059e-09 ] [ 3.312515864834884e-09 1.230180208847077e-09 -3.626419755782531e-09 ] [ 2.311410543352915e-10 3.721811909826004e-09 -2.98494668905311e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 616.69253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.880503537880027e-17 } }