{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.036549 -2.6043365 -6.595961 ] [ -3.8374161 2.2376656 -1.1362408 ] [ -1.2255161 -3.1291424 6.0037842 ] [ -1.8013474 5.1168795 -1.997639 ] [ 1.8877182 -0.4692107 0.8594899 ] [ 3.4252081 0.3869845 -0.8541958 ] [ 0.5148044 -1.53884 3.7207625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.660734574113619e-09 -4.172607052996099e-09 -1.056789450590859e-08 ] [ -6.148218359701515e-09 3.585135509488404e-09 -1.820458445359089e-09 ] [ -1.963493243833995e-09 -5.013438796434003e-09 9.619122681568432e-09 ] [ -2.886076690218866e-09 8.198144706350793e-09 -3.200570502598291e-09 ] [ 3.024457966698658e-09 -7.517584137692026e-10 1.37705462359373e-09 ] [ 5.487788339194788e-09 6.200175185119776e-10 -1.368572540345553e-09 ] [ 8.248075739649717e-10 -2.465493471151872e-09 5.96131868904936e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.541897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.688998091228166e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7359617 1.5713285 0.8427646 ] [ 1.0962863 2.7619095 1.8943069 ] [ 1.5952199 1.534282 3.753274 ] [ 2.6035258 4.3853828 2.5057183 ] [ 3.9536266 1.320812 2.9958683 ] [ 4.3028097 3.2589997 1.4783615 ] [ 3.1620699 3.2219545 4.3888605 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7359617e-10 1.5713285e-10 8.427646e-11 ] [ 1.0962863e-10 2.7619095e-10 1.8943069e-10 ] [ 1.5952199e-10 1.534282e-10 3.753274e-10 ] [ 2.6035258e-10 4.385382800000001e-10 2.5057183e-10 ] [ 3.9536266e-10 1.320812e-10 2.9958683e-10 ] [ 4.3028097e-10 3.2589997e-10 1.4783615e-10 ] [ 3.1620699e-10 3.2219545e-10 4.3888605e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.8e-06 -4.4e-06 2.5e-06 ] [ -2.7e-06 1.8e-06 3.1e-06 ] [ -2e-06 -3.8e-06 -3.1e-06 ] [ 2.4e-06 6.5e-06 -5.6e-06 ] [ -1e-06 0.0 -3.4e-06 ] [ -1.1e-06 6e-07 -5.8e-06 ] [ -4e-07 -8e-07 1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.69044777984e-15 -7.04957713152e-15 4.005441552e-15 ] [ -4.32587687616e-15 2.88391791744e-15 4.96674752448e-15 ] [ -3.2043532416e-15 -6.08827115904e-15 -4.96674752448e-15 ] [ 3.84522388992e-15 1.04141480352e-14 -8.972189076479999e-15 ] [ -1.6021766208e-15 0.0 -5.44740051072e-15 ] [ -1.76239428288e-15 9.6130597248e-16 -9.292624400640001e-15 ] [ -6.408706483200001e-16 -1.28174129664e-15 1.954655477376e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }