{ "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" [ [ 0.546993 -1.8532361 -2.2361699 ] [ -2.5478427 -1.2046569 -1.2188816 ] [ -2.0145133 2.2664559 1.4442853 ] [ -2.2940043 -4.023804 0.19049 ] [ 2.9792641 2.8013713 -1.1168482 ] [ 2.5321593 1.3397135 0.8493197 ] [ 0.797944 0.6741563 2.0878047 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.763793963412544e-10 -2.969211552242571e-09 -3.582739133916674e-09 ] [ -4.082094007415948e-09 -1.930073121265404e-09 -1.952863603043297e-09 ] [ -3.227606111550656e-09 3.631262655054223e-09 2.314000141425114e-09 ] [ -3.675400057474669e-09 -6.446844695481524e-09 3.05198624496192e-10 ] [ 4.773307288208754e-09 4.488291603040104e-09 -1.789388075022562e-09 ] [ 4.056966430601293e-09 2.146457648270141e-09 1.36076016692487e-09 ] [ 1.278447221507635e-09 1.080117462625031e-09 3.345031879136358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.444988 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.275648178613655e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7740292 1.7909346 1.1589536 ] [ 1.9442999 0.9268059 3.4399567 ] [ 1.9591425 3.2789181 2.8813307 ] [ 3.9019163 -0.0852996 2.3135373 ] [ 5.0623048 2.090806 2.1049376 ] [ 4.2325763 1.2266614 4.3859396 ] [ 4.0923219 3.5584483 3.7632075 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7740292e-10 1.7909346e-10 1.1589536e-10 ] [ 1.9442999e-10 9.268059e-11 3.4399567e-10 ] [ 1.9591425e-10 3.2789181e-10 2.8813307e-10 ] [ 3.9019163e-10 -8.529960000000001e-12 2.3135373e-10 ] [ 5.0623048e-10 2.090806e-10 2.1049376e-10 ] [ 4.2325763e-10 1.2266614e-10 4.3859396e-10 ] [ 4.0923219e-10 3.5584483e-10 3.7632075e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.3e-06 2.39e-05 2.59e-05 ] [ -2.86e-05 1.91e-05 -8.8e-06 ] [ 2.13e-05 -4.78e-05 1.8e-06 ] [ 5.6e-06 6e-07 -2.44e-05 ] [ 6.3e-06 -1.34e-05 1.57e-05 ] [ 1.51e-05 1.97e-05 1.51e-05 ] [ -1.14e-05 -2.1e-06 -2.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.329806595264e-14 3.829202123712e-14 4.149637447872e-14 ] [ -4.582225135488e-14 3.060157345728e-14 -1.409915426304e-14 ] [ 3.412636202304e-14 -7.658404247424001e-14 2.88391791744e-15 ] [ 8.972189076479999e-15 9.6130597248e-16 -3.909310954752e-14 ] [ 1.009371271104e-14 -2.146916671872e-14 2.515417294656e-14 ] [ 2.419286697408e-14 3.156287942976e-14 2.419286697408e-14 ] [ -1.826481347712e-14 -3.36457090368e-15 -4.053506850624e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210063337869e-18 } }