{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4263854 -2.5178538 -4.8825637 ] [ 0.4497269 -0.2845855 -2.3362716 ] [ -4.3801117 -2.6138534 3.4029557 ] [ -1.5018679 1.44916 -0.9497583 ] [ 6.0559601 -3.1464842 1.5405502 ] [ 1.4582109 3.6648714 -1.1533167 ] [ 0.3444671 3.4487455 4.3784044 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.887497960930457e-09 -4.034046492952439e-09 -7.822729409706746e-09 ] [ 7.205419249248595e-10 -4.559562347186784e-10 -3.743119737359009e-09 ] [ -7.017712562232543e-09 -4.187854807678591e-09 5.452136064158099e-09 ] [ -2.406257636909992e-09 2.321810271798528e-09 -1.521680543670753e-09 ] [ 9.70271768871763e-09 -5.041223422956593e-09 2.468233513608764e-09 ] [ 2.336311412175727e-09 5.871771275318565e-09 -1.847817053118207e-09 ] [ 5.518971342547757e-10 5.525499411189206e-09 7.014977166087851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.081865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.49921075714618e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4352826 1.7542739 1.4764405 ] [ 1.3913377 2.9334619 4.9428621 ] [ 1.7028633 1.0265445 3.5429565 ] [ 1.3071661 3.5751397 2.7062744 ] [ 4.1728175 1.598453 3.2196421 ] [ 3.6658916 3.6689566 1.9794423 ] [ 3.5020662 3.8258814 4.2783702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4352826e-10 1.7542739e-10 1.4764405e-10 ] [ 1.3913377e-10 2.9334619e-10 4.9428621e-10 ] [ 1.7028633e-10 1.0265445e-10 3.5429565e-10 ] [ 1.3071661e-10 3.5751397e-10 2.7062744e-10 ] [ 4.1728175e-10 1.598453e-10 3.2196421e-10 ] [ 3.6658916e-10 3.6689566e-10 1.9794423e-10 ] [ 3.5020662e-10 3.8258814e-10 4.278370200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-06 1.33e-05 -0.0 ] [ 1.51e-05 1.11e-05 1.13e-05 ] [ 2.09e-05 -1.3e-06 -4.1e-06 ] [ 1.36e-05 -2.44e-05 -2e-06 ] [ -5.18e-05 5.4e-06 -6e-06 ] [ 7.6e-06 -3.9e-06 1.67e-05 ] [ -1.4e-05 -2e-07 -1.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.345828361472e-14 2.130894905664e-14 0.0 ] [ 2.419286697408e-14 1.778416049088e-14 1.810459581504e-14 ] [ 3.348549137472e-14 -2.08282960704e-15 -6.568924145279999e-15 ] [ 2.178960204288e-14 -3.909310954752e-14 -3.2043532416e-15 ] [ -8.299274895744e-14 8.65175375232e-15 -9.6130597248e-15 ] [ 1.217654231808e-14 -6.24848882112e-15 2.675634956736e-14 ] [ -2.24304726912e-14 -3.2043532416e-16 -2.547460827072e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }