{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.721382 -1.0064051 -4.7002492 ] [ -3.9752657 -1.7801411 0.8241928 ] [ -3.7430457 3.8324646 0.6345567 ] [ -0.6589027 -6.0820211 -1.0601607 ] [ 4.5927395 2.7739095 -1.8647065 ] [ 3.1252045 -0.0792669 3.4315989 ] [ 1.3806521 2.3414601 2.734768 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.155781375065945e-09 -1.612438722273886e-09 -7.530629380173903e-09 ] [ -6.369077766008147e-09 -2.852100452145195e-09 1.32050243519169e-09 ] [ -5.997020311125971e-09 6.140285182163624e-09 1.016671909311999e-09 ] [ -1.055678501321996e-09 -9.7444720136323e-09 -1.698564687830963e-09 ] [ 7.358379852324683e-09 4.444292949115018e-09 -2.987589158953795e-09 ] [ 5.007129585118954e-09 -1.269995739832915e-10 5.498027529542997e-09 ] [ 2.212048516078424e-09 3.75143263075603e-09 4.381581352911974e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.057401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.373767557701054e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9710122 2.094055 1.2338772 ] [ 2.0707788 1.1716429 3.6848772 ] [ 1.4264086 3.3874843 2.7177148 ] [ 3.8011473 -0.1224991 2.2690041 ] [ 5.3727751 1.8786849 2.1605981 ] [ 4.5448326 1.0303485 4.414782 ] [ 3.7796364 3.3475582 3.5670096 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9710122e-10 2.094055e-10 1.2338772e-10 ] [ 2.0707788e-10 1.1716429e-10 3.6848772e-10 ] [ 1.4264086e-10 3.3874843e-10 2.7177148e-10 ] [ 3.8011473e-10 -1.224991e-11 2.2690041e-10 ] [ 5.3727751e-10 1.8786849e-10 2.1605981e-10 ] [ 4.544832600000001e-10 1.0303485e-10 4.414782e-10 ] [ 3.7796364e-10 3.3475582e-10 3.5670096e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-05 -5.55e-05 1.31e-05 ] [ 2.75e-05 4.1e-05 -2.46e-05 ] [ -9.5e-06 2.09e-05 3.63e-05 ] [ -1.26e-05 3.98e-05 -1.92e-05 ] [ 9.8e-06 -9.6e-06 1.73e-05 ] [ 1.8e-06 3.41e-05 -1.18e-05 ] [ -3.9e-05 -7.06e-05 -1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-14 -8.892080245440001e-14 2.098851373248e-14 ] [ 4.4059857072e-14 6.56892414528e-14 -3.941354487168e-14 ] [ -1.52206778976e-14 3.348549137472e-14 5.815901133504e-14 ] [ -2.018742542208e-14 6.376662950784e-14 -3.076179111936e-14 ] [ 1.570133088384e-14 -1.538089555968e-14 2.771765553984e-14 ] [ 2.88391791744e-15 5.463422276928e-14 -1.890568412544e-14 ] [ -6.248488821120001e-14 -1.1311366942848e-13 -1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }