{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8693064 0.6416292 0.2816835 ] [ 0.3973868 0.0903349 -1.17725 ] [ 0.124306 0.0038215 -0.4953715 ] [ 1.2735301 -0.2405771 0.3791283 ] [ -1.2334327 -0.2555457 0.1002128 ] [ 0.4039126 -0.5827283 1.9351681 ] [ -0.1793285 0.7483914 0.9311571 ] [ 0.082932 -0.405326 -1.9547283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.392782390391813e-09 1.028003303462607e-09 4.513067181651168e-10 ] [ 6.366838403745254e-10 1.447324648223059e-10 -1.8861624268368e-09 ] [ 1.991601670251648e-10 6.1227179563872e-12 -7.936726359106273e-10 ] [ 2.040420152105086e-09 -3.854470051198637e-10 6.074304985436486e-10 ] [ -1.97617703527022e-09 -4.094293460859706e-10 1.605586052649063e-10 ] [ 6.471393245665422e-10 -9.336336585385286e-10 3.100481087137956e-09 ] [ -2.873159301431328e-10 1.199055204287781e-09 1.491878135911928e-09 ] [ 1.328717115161856e-10 -6.494038410023809e-10 -3.131819982276128e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.658578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.873351662337323e-18 } }