{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.15957990000000002 2.8547747000000006 0.8043337000000003 ] [ 13.586976800000004 -11.152831100000002 -10.665067600000002 ] [ -13.718819400000003 10.447637600000002 11.170058300000003 ] [ 0.4678111000000001 -2.8929924000000002 -0.5095040000000001 ] [ -1.8197336000000004 2.1856885000000004 2.4328438000000006 ] [ 0.07273300000000002 -0.21780210000000005 1.0609902000000002 ] [ 0.4675042000000001 1.0953748000000003 -1.5938535000000005 ] [ 1.1031076000000002 -2.3198500000000006 -2.6998009000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.55675184929602e-10 4.573853281991335e-09 1.288684649461561e-09 ] [ 2.1768736576312e-08 -1.786880524415115e-08 -1.708732196797157e-08 ] [ -2.197997170765749e-08 1.673896070531102e-08 1.7896406261233e-08 ] [ 7.495160073707311e-10 -4.635084787432082e-09 -8.163153970040833e-10 ] [ -2.915534630004219e-09 3.501859015051422e-09 3.897845458418232e-09 ] [ 1.165311121606464e-10 -3.489574325811438e-10 1.699893693337916e-09 ] [ 7.490242993658075e-10 1.754983895573476e-09 -2.553634814680253e-09 ] [ 1.767373206946798e-09 -3.716809433762881e-09 -4.325557882794799e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.422654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.03446416022876e-18 } }