{ "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" [ [ -3.1319984 -3.6741109 -6.3866757 ] [ 0.5866862 0.114928 -0.879813 ] [ -5.08041 -2.4791988 1.4216376 ] [ -1.8257032 0.9689435 0.0713393 ] [ 7.028971 -3.1089431 3.5561129 ] [ 2.4158458 4.3598498 -1.2348799 ] [ 0.0066086 3.8185315 3.4522788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.018014612863007e-09 -5.886574586206447e-09 -1.023258249117147e-08 ] [ 9.39974913385993e-10 1.841349546753024e-10 -1.40961581927591e-09 ] [ -8.139714126078527e-09 -3.972114355675414e-09 2.277714525970222e-09 ] [ -2.925098983559747e-09 1.552418622576125e-09 1.142981586042374e-10 ] [ 1.12616530044812e-08 -4.981075950217476e-09 5.697520949305289e-09 ] [ 3.870611660217872e-09 6.985249419759556e-09 -1.978495705275842e-09 ] [ 1.058814441621888e-11 6.117961895088355e-09 5.531160381843479e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.002056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.724029662873237e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9398162 1.5172254 1.2220752 ] [ 1.5846809 2.8657174 5.3713698 ] [ 1.5327201 1.2698406 3.1943304 ] [ 1.0670644 3.6001476 3.1419149 ] [ 3.9060502 1.6018204 3.4709231 ] [ 3.8138306 3.6522677 1.7123903 ] [ 3.3332625 3.8756919 4.0329843 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9398162e-10 1.5172254e-10 1.2220752e-10 ] [ 1.5846809e-10 2.8657174e-10 5.371369800000001e-10 ] [ 1.5327201e-10 1.2698406e-10 3.1943304e-10 ] [ 1.0670644e-10 3.6001476e-10 3.1419149e-10 ] [ 3.9060502e-10 1.6018204e-10 3.4709231e-10 ] [ 3.8138306e-10 3.6522677e-10 1.7123903e-10 ] [ 3.3332625e-10 3.8756919e-10 4.0329843e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1040958 -0.0203769 0.2660186 ] [ -0.0769605 0.0495097 -0.2697809 ] [ -0.0989163 0.0074112 -0.1154054 ] [ 0.0336185 -0.0447553 0.3226743 ] [ 0.0186053 0.0817169 -0.1242624 ] [ -0.0384073 -0.0194297 -0.0756983 ] [ 0.0579646 -0.0540759 -0.0035458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.667798570834726e-10 -3.264739278437952e-11 4.262087816179469e-10 ] [ -1.233043138250784e-10 7.932328384282175e-11 -4.322366507183827e-10 ] [ -1.58481383276039e-10 1.187405137207296e-11 -1.848998337940723e-10 ] [ 5.38627747263648e-11 -7.170589531689024e-11 5.169812195930055e-10 ] [ 2.980897668297024e-11 1.309249067042515e-10 -1.990903121244979e-10 ] [ -6.153527812805184e-11 -3.112981108915777e-11 -1.212820464943046e-10 ] [ 9.286952695402368e-11 -8.663914272871873e-11 -5.68099786203264e-12 ] ] } "relaxed-potential-energy" { "source-value" -20.527715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288902505144547e-18 } }