{ "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" [ [ -0.6523678 0.4786341 0.159842 ] [ 0.3706199 0.0387143 -1.0007683 ] [ 0.0394684 0.0645892 -0.380436 ] [ 0.9103305 -0.1987069 0.5070425 ] [ -0.8076017 -0.1529587 -0.0046863 ] [ 0.3169724 -0.5214036 1.5180409 ] [ -0.160155 0.5901325 0.7084299 ] [ -0.0172666 -0.2990008 -1.5074647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.04520843732273e-09 7.668563649376493e-10 2.560951154219136e-10 ] [ 5.93798538983234e-10 6.202714635063744e-11 -1.603407573097761e-09 ] [ 6.323534774038273e-11 1.034833061961754e-10 -6.095256649106687e-10 ] [ 1.458510244301175e-09 -3.183635495716435e-10 8.123716392519839e-10 ] [ -1.293920562658335e-09 -2.45066853087961e-10 -7.508280298055041e-12 ] [ 5.078457687188659e-10 -8.353806579209548e-10 2.43216963939819e-09 ] [ -2.56596596704224e-10 9.45496494674256e-10 1.135029823255682e-09 ] [ -2.766414284070528e-11 -4.790520913604966e-10 -2.415224699021286e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.553953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.856588889442203e-18 } }