{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.3085209 11.0774376 -6.1397158 ] [ 4.4532297 2.516592 -3.5796225 ] [ 38.5483967 27.5905678 -18.404279 ] [ -0.4351015 -2.2759305 -4.2406664 ] [ 0.6826411 -4.6695378 -8.1679431 ] [ -28.0120999 -28.5121512 15.7000805 ] [ -8.1378491 0.6806742 11.9962188 ] [ -14.407738 -6.407652 12.8359276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.170954131860818e-08 1.774801154109087e-08 -9.836909113116368e-09 ] [ 7.134860512392198e-09 4.032024866492314e-09 -5.735187480789648e-09 ] [ 6.176133996206386e-08 4.420496268375729e-08 -2.94869055364804e-08 ] [ -6.971094509750112e-10 -3.646442637665654e-09 -6.794296562692102e-09 ] [ 1.093711610817195e-09 -7.481424293101867e-09 -1.308648747484468e-08 ] [ -4.488033155929401e-08 -4.568150206135467e-08 2.515430192177797e-08 ] [ -1.303827157161832e-08 1.090560289621743e-09 1.922006129936143e-08 ] [ -2.308374098221175e-08 -1.026619022862236e-08 2.056542310700145e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.013606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.24522719063026e-18 } }