{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.671008 0.5436564 -1.1016942999999997 ] [ -0.3091645 -0.6744361 0.49944859999999996 ] [ 0.4879153 0.1097873 1.5553646999999997 ] [ -2.4935682 -2.2591189 2.4995964999999996 ] [ 0.9840812 2.5749686 -0.7331824999999998 ] [ -1.0968642 0.7918651 -1.5746834999999997 ] [ -0.6641203 -0.6756171 -2.4606290999999993 ] [ -0.5792874 -0.4111053 1.3157794999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.881603192369767e-09 8.710335738282931e-10 -1.765108850728621e-09 ] [ -4.953361338813216e-10 -1.080565751643531e-09 8.002048702112908e-10 ] [ 7.817264865906183e-10 1.758986453207558e-10 2.491968959157605e-09 ] [ -3.995136672410338e-09 -3.619507485187413e-09 4.004795073733507e-09 ] [ 1.576671891608809e-09 4.125554490214107e-09 -1.174687860279696e-09 ] [ -1.757370177432495e-09 1.268707750047454e-09 -2.522921088859516e-09 ] [ -1.064038018058682e-09 -1.082457922232696e-09 -3.942362416480144e-09 ] [ -9.28120729004018e-10 -6.586633003469703e-10 2.108111153027913e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.426131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.675891885359813e-18 } }