{ "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" [ [ -1.3133362 0.9770553 0.2448293 ] [ 0.6713351 -0.0166931 -1.4352264 ] [ -0.0100935 0.2377474 -0.8007256 ] [ 1.7487504 -0.5092731 0.733923 ] [ -1.5649671 -0.1603398 -0.0337975 ] [ 0.674449 -1.0052733 2.657573 ] [ -0.3529926 1.1322251 1.0151857 ] [ 0.1468548 -0.6554486 -2.3817615 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.10419657222635e-09 1.56541517178586e-09 3.922597837785762e-10 ] [ 1.075597410804053e-09 -2.674529476902539e-11 -2.299486202579937e-09 ] [ -1.6171569855279e-11 3.809133290742515e-10 -1.28290384656563e-09 ] [ 2.801807029578153e-09 -8.159454611447453e-10 1.175874281755182e-09 ] [ -2.507353720598742e-09 -2.568926810602332e-10 -5.4149564787615e-11 ] [ 1.080586428624666e-09 -1.610625392044072e-09 4.257901363749282e-09 ] [ -5.655564956949083e-10 1.814024599648313e-09 1.626506807710933e-09 ] [ 2.352873291507432e-10 -1.050144431708012e-09 -3.816002623060791e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.576138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.860143366555949e-18 } }