{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8814397 0.8587696 8.9690037 ] [ -9.5971863 -0.4782626 -4.9342938 ] [ -0.0077251 1.5031295 -1.3019466 ] [ 3.5919489 -6.6790083 -2.0420196 ] [ 0.0285744 0.5751411 -1.8320958 ] [ 4.1029485 4.2202307 1.1413521 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.014398700784966e-09 1.375900575773768e-09 1.43699280400087e-08 ] [ -1.537638751532206e-08 -7.66261156323022e-10 -7.905610166518392e-09 ] [ -1.237697461334208e-11 2.408278942934794e-09 -2.085948404050049e-09 ] [ 5.754936550688278e-09 -1.070095094838915e-08 -3.271676062335368e-09 ] [ 4.578123563338752e-11 9.214776240811948e-10 -2.935341057825873e-09 ] [ 6.573648163046429e-09 6.761554961922419e-09 1.828647650720984e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.186747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.272967436860454e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9283414 2.6214694 4.8471636 ] [ 1.0333119 3.4704405 3.7870756 ] [ 2.4782808 4.7572362 2.4863537 ] [ 3.716875 1.4709859 3.0196598 ] [ 3.3977156 2.9860361 1.3450323 ] [ 3.9401604 4.6492218 4.299335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9283414e-10 2.6214694e-10 4.8471636e-10 ] [ 1.0333119e-10 3.4704405e-10 3.7870756e-10 ] [ 2.4782808e-10 4.757236200000001e-10 2.4863537e-10 ] [ 3.716875e-10 1.4709859e-10 3.0196598e-10 ] [ 3.3977156e-10 2.9860361e-10 1.3450323e-10 ] [ 3.9401604e-10 4.6492218e-10 4.299335e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 -4.01e-05 -2.4e-06 ] [ 3.33e-05 -2e-07 1.33e-05 ] [ -2.27e-05 0.0001301 -3.02e-05 ] [ 3.35e-05 2.92e-05 3.96e-05 ] [ -1.35e-05 -7.23e-05 -3.52e-05 ] [ -2.59e-05 -4.66e-05 1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.53023011776e-15 -6.424728249408e-14 -3.84522388992e-15 ] [ 5.335248147264001e-14 -3.2043532416e-16 2.130894905664e-14 ] [ -3.636940929216e-14 2.0844317836608e-13 -4.838573394816e-14 ] [ 5.36729167968e-14 4.678355732736e-14 6.344619418368e-14 ] [ -2.16293843808e-14 -1.1583736968384e-13 -5.639661705216e-14 ] [ -4.149637447872e-14 -7.466143052928e-14 2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.486326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961835932168718e-18 } }