{ "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" [ [ -0.849729 0.6245136 0.1347288 ] [ 0.4544382 0.0648456 -1.1781575 ] [ 0.0116893 0.0768367 -0.4938662 ] [ 1.1364163 -0.3371947 0.6125302 ] [ -0.9566001 -0.1524377 -0.0366639 ] [ 0.4064897 -0.6866763 1.9013064 ] [ -0.1729797 0.8124412 0.8749751 ] [ -0.0297248 -0.4023283 -1.8148529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.361415937815763e-09 1.000581089291643e-09 2.158593335084391e-10 ] [ 7.280902596384346e-10 1.038941042817485e-10 -1.887616402120176e-09 ] [ 1.872832317351744e-11 1.231059643594234e-10 -7.91260879443337e-10 ] [ 1.820739627356039e-09 -5.402454649976698e-10 9.813815659739483e-10 ] [ -1.532642315674942e-09 -2.442321190685242e-10 -5.874204340734912e-11 ] [ 6.512682939360059e-10 -1.100176713917447e-09 3.046228663057413e-09 ] [ -2.771440312129978e-10 1.301674296414697e-09 1.401864649002142e-09 ] [ -4.762437961795584e-11 -6.446009961462087e-10 -2.907714886571081e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.69268 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.878815405049575e-18 } }