{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0698377 -1.1631747 -3.5176117 ] [ -0.8519326 -0.7002987 3.2455818 ] [ 0.155642 -1.1401081 -3.657451 ] [ -6.1026386 -5.6875339 12.3687479 ] [ 7.143672 5.6151932 -9.8484289 ] [ -1.76092 0.6825908 4.6386152 ] [ 0.4990017 -0.1068556 -6.3888669 ] [ -0.1526622 2.500187 3.1594136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.714068965112301e-09 -1.863611325599959e-09 -5.635835273225018e-09 ] [ -1.364946505462868e-09 -1.122002213960576e-09 5.199995323695661e-09 ] [ 2.49365975669028e-10 -1.826654558054135e-09 -5.859882532199933e-09 ] [ -9.77750497066647e-09 -9.112433919662892e-09 1.981691887721657e-08 ] [ 1.144542435936005e-08 8.99653134043569e-09 -1.577892266519032e-08 ] [ -2.82130487834328e-09 1.093631030343367e-09 7.431880887557236e-09 ] [ 7.994888640662777e-10 -1.712015455320504e-10 -1.023609326491601e-08 ] [ -2.445918097350348e-10 4.005741192030557e-09 5.061938647061822e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.887809 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.42942557572549e-18 } }