{ "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" [ [ 0.6977917 0.2559248 0.8783031 ] [ 0.349385 0.3940236 2.698898 ] [ 1.248694 1.36901 2.090768 ] [ 0.3246804 2.316928 0.2892628 ] [ 2.775341 0.8800459 0.0497676 ] [ 2.033969 2.77175 0.0650166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.977917e-11 2.559248e-11 8.783031e-11 ] [ 3.49385e-11 3.940236e-11 2.698898e-10 ] [ 1.248694e-10 1.36901e-10 2.090768e-10 ] [ 3.246804e-11 2.316928e-10 2.892628e-11 ] [ 2.775341e-10 8.800459e-11 4.976760000000001e-12 ] [ 2.033969e-10 2.77175e-10 6.50166e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2647.4130758 -3013.8703556 2691.6980013 ] [ -1233.1502785 -3062.9879265 -4481.396522 ] [ 3776.4793807 5980.3637599 1514.2629729 ] [ -42.0313057 60.0075857 308.3936566 ] [ -16.976406 -56.3688103 4.7324532 ] [ 163.0916853 92.8557469 -37.690562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.241623335646978e-06 -4.828752621864503e-06 4.312575607936948e-06 ] [ -1.975724546145709e-06 -4.907447645630969e-06 -7.179988736082834e-06 ] [ 6.050586972690804e-06 9.581598999991366e-06 2.426116732923484e-06 ] [ -6.734157533423777e-08 9.61427508791924e-08 4.941011066075435e-07 ] [ -2.719920079840885e-08 -9.031279000497023e-08 7.582225876070147e-09 ] [ 2.613016852345311e-07 1.487713067901021e-07 -6.03869372612129e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 655.95725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.050959370194261e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.270741 -0.2996238 0.1167278 ] [ 0.3189608 -0.1084837 2.9462333 ] [ 1.7963527 2.3157645 2.6406428 ] [ -0.3151747 2.4228524 0.2713689 ] [ 2.9489323 0.4434888 0.3494429 ] [ 2.4100491 3.2136841 -0.2523996 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70741e-11 -2.996238e-11 1.167278e-11 ] [ 3.189608e-11 -1.084837e-11 2.9462333e-10 ] [ 1.7963527e-10 2.3157645e-10 2.6406428e-10 ] [ -3.151747e-11 2.4228524e-10 2.713689e-11 ] [ 2.9489323e-10 4.434888e-11 3.494429e-11 ] [ 2.410049100000001e-10 3.2136841e-10 -2.523996e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 2.4e-06 -1.07e-05 ] [ -3e-06 -8.1e-06 -3.4e-06 ] [ 4.8e-06 1.72e-05 4.3e-06 ] [ -1.17e-05 1.09e-05 7.6e-06 ] [ 2e-05 -9.9e-06 5.3e-06 ] [ -8.2e-06 -1.25e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.04413557952e-15 3.84522388992e-15 -1.714328984256e-14 ] [ -4.8065298624e-15 -1.297763062848e-14 -5.44740051072e-15 ] [ 7.69044777984e-15 2.755743787776e-14 6.889359469440001e-15 ] [ -1.874546646336e-14 1.746372516672e-14 1.217654231808e-14 ] [ 3.2043532416e-14 -1.586154854592e-14 8.491536090240001e-15 ] [ -1.313784829056e-14 -2.002720776e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }