{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.20742179999999996 -0.6058062999999999 1.5475870999999999 ] [ 1.7324177999999997 -2.5738728999999996 -3.7332612999999997 ] [ -0.7292058999999999 0.9596230999999998 4.289579499999999 ] [ -1.3241130999999997 0.4748010999999999 -0.9777358999999999 ] [ -2.3860115999999993 -4.316151199999999 -3.9789386999999996 ] [ 4.039522899999999 4.542033399999999 3.3384902999999997 ] [ 0.46168509999999996 -1.6238838999999998 0.8236279999999999 ] [ -1.5868733999999998 3.1432567999999996 -1.3093489999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.323263613422211e-10 -9.70608698589994e-10 2.479507890699821e-09 ] [ 2.775639319485685e-09 -4.123799019265817e-09 -5.981344023476463e-09 ] [ -1.16831665435494e-09 1.537485708266645e-09 6.872664044585402e-09 ] [ -2.121463069593305e-09 7.607152282174971e-10 -1.56650561320296e-09 ] [ -3.822812033972953e-09 -6.91523660145106e-09 -6.374962613258334e-09 ] [ 6.472029202887916e-09 7.277139784327574e-09 5.348851151495649e-09 ] [ 7.397010794859533e-10 -2.601748840908792e-09 1.319597536708152e-09 ] [ -2.542451482596135e-09 5.03605259962161e-09 -2.097808373551266e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.478241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684240874562078e-18 } }