{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9635481 1.0294056 -1.236377 ] [ 0.4225545 -0.1814791 2.975839 ] [ -0.2347481 0.8733675 0.0598623 ] [ -0.4949725 -1.5981093 -2.7293908 ] [ -2.8898837 0.593706 0.1040541 ] [ 5.081405 -1.0809188 -0.0528785 ] [ -0.8764074 2.2142208 1.1093183 ] [ 1.9556002 -1.8501925 -0.2304274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.748127480436261e-09 1.649289585640596e-09 -1.980894323894842e-09 ] [ 6.770069409138336e-10 -2.907615711838253e-10 4.767819673064852e-09 ] [ -3.761079175972205e-10 1.399288989866544e-09 9.590997752731584e-11 ] [ -7.930333674389281e-10 -2.560453357943054e-09 -4.372966128786609e-09 ] [ -4.630104100971001e-09 9.512218728286847e-10 1.667130463183853e-10 ] [ 8.141308291816225e-09 -1.731822830343191e-09 -8.47206964429728e-11 ] [ -1.404159446576114e-09 3.547572799049073e-09 1.777323845285601e-09 ] [ 3.133216920071804e-09 -2.964335167479504e-09 -3.6918539307173e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.367921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.666565615250136e-18 } }