{ "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" [ [ 0.19057679999999996 0.4851926999999999 -0.9923654999999999 ] [ -0.45611889999999994 1.0148486999999997 2.0364246999999995 ] [ 0.8101340999999999 -0.015401699999999989 -1.9261241999999998 ] [ 0.22809549999999998 -0.4728956999999999 0.20845009999999997 ] [ 0.5137433999999999 2.3973482999999995 1.6443591999999998 ] [ -1.7475957999999998 -2.4096397999999994 -1.2195935999999998 ] [ 0.06842369999999999 1.1298917999999998 0.026747099999999996 ] [ 0.39274119999999996 -2.1293442999999996 0.22210219999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.053376959424911e-10 7.773644069273716e-10 -1.589944816487727e-09 ] [ -7.307830439057824e-10 1.625966874185275e-09 3.262712071240459e-09 ] [ 1.297977925426619e-09 -2.467624386387778e-11 -3.085991187421942e-09 ] [ 3.654492804205469e-10 -7.576624408590736e-10 3.339738795749633e-10 ] [ 8.231076713517153e-10 3.840975429819621e-09 2.634553888142932e-09 ] [ -2.799957156436537e-09 -3.860668583916432e-09 -1.954004368895942e-09 ] [ 1.096268533518258e-10 1.810286240908201e-09 4.285357864726139e-11 ] [ 6.292407738491206e-10 -3.411585683201086e-09 3.558469551999947e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.43993660156247927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.048561434647721e-20 } }