{ "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" [ [ -0.7433438 0.5791293 0.150092 ] [ 0.4531066 0.0191709 -1.2280593 ] [ -0.010251 0.1037549 -0.5216975 ] [ 1.1245011 -0.3655578 0.7025139 ] [ -0.9714177 -0.1182523 -0.0791756 ] [ 0.3062515 -0.6340605 1.9521017 ] [ -0.1905431 0.7839869 0.8075497 ] [ 0.0316964 -0.3681714 -1.7833247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.190968067388769e-09 9.278674325247761e-10 2.40473895350328e-10 ] [ 7.259568072311843e-10 3.07151680327506e-11 -1.967567915626396e-09 ] [ -1.6423912675134e-11 1.662336764430066e-10 -8.35851544516215e-10 ] [ 1.801649387327297e-09 -5.856881655364451e-10 1.125551355640213e-09 ] [ -1.556382740794022e-09 -1.894610719767582e-10 -1.268532963029304e-10 ] [ 4.906689974274509e-10 -1.015876917642357e-09 3.127611730931678e-09 ] [ -3.052837025899253e-10 1.256085492542094e-09 1.29383726013371e-09 ] [ 5.078323146191759e-11 -5.898756143870675e-10 -2.85720116517506e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.676246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.876182436403596e-18 } }